LigUnity / HGNN /data /CoreSet.dat
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#code resl year logKa Ka target
4llx 1.75 2014 2.89 Ki=1300uM 1
5c28 1.56 2015 5.66 Ki=2.2uM 1
3uuo 2.11 2012 7.96 Ki=11nM 1
3ui7 2.28 2011 9.00 Ki=1nM 1
5c2h 2.09 2015 11.09 Ki=8.2pM 1
2v00 1.55 2007 3.66 Kd=0.22mM 2
3wz8 1.45 2015 5.82 Ki=1.5uM 2
3pww 1.22 2011 7.32 Ki=48nM 2
3prs 1.38 2011 7.82 Ki=15nM 2
3uri 2.10 2012 9.00 Ki=1nM 2
4m0z 2.00 2014 5.19 Kd=6.4uM 3
4m0y 1.70 2014 6.46 Kd=0.35uM 3
3qgy 2.10 2011 7.80 Ki=16nM 3
4qd6 2.45 2015 8.64 Ki=2.3nM 3
4rfm 2.10 2015 10.05 Ki=90pM 3
4cr9 1.70 2015 4.10 Ki=80uM 4
4cra 1.80 2015 7.22 Ki=0.06uM 4
4x6p 1.93 2015 8.30 Ki=5nM 4
4crc 1.60 2015 8.72 Ki=0.0019uM 4
4ty7 2.09 2014 9.52 Ki=0.3nM 4
5aba 1.62 2015 2.98 Kd=1040uM 5
5a7b 1.40 2015 3.57 Kd=271uM 5
4agn 1.60 2012 3.97 Kd=107uM 5
4agp 1.50 2012 4.69 Kd=20.6uM 5
4agq 1.42 2012 5.01 Kd=9.7uM 5
3bgz 2.40 2007 6.26 Ki=0.55uM 6
3jya 2.10 2009 6.89 Ki=0.1301uM 6
2c3i 1.90 2005 7.60 Kd=25nM 6
4k18 2.05 2013 8.96 Ki=1.1nM 6
5dwr 2.00 2015 11.22 Ki=6pM 6
3mss 1.95 2010 4.66 Kd=22uM 7
3k5v 1.74 2010 6.30 Kd=0.5uM 7
3pyy 1.85 2011 6.86 Kd=137nM 7
2v7a 2.50 2007 8.30 Kd=0.005uM 7
4twp 2.40 2015 10.00 Ki=100pM 7
3wtj 2.24 2015 6.53 Kd=0.297uM 8
3zdg 2.48 2013 7.10 Ki=79nM 8
3u8k 2.47 2011 8.66 Ki=2.2nM 8
4qac 2.10 2014 9.40 Kd=0.4nM 8
3u8n 2.35 2011 10.17 Ki=0.067nM 8
1a30 2.00 1998 4.30 Ki=50uM 9
2qnq 2.30 2008 6.11 Ki=0.77uM 9
1g2k 1.95 2001 7.96 Ki=11nM 9
1eby 2.29 2002 9.70 Ki=0.20nM 9
3o9i 1.45 2011 11.82 Ki=1.5pM 9
4lzs 2.20 2014 4.80 Kd=16uM 10
3u5j 1.60 2011 5.61 Kd=2.46uM 10
4wiv 1.56 2014 6.26 Kd=550nM 10
4ogj 1.65 2014 6.79 Kd=164nM 10
3p5o 1.60 2010 7.30 Kd=50.5nM 10
1ps3 1.80 2003 2.28 Ki=5.2mM 11
3dx1 1.21 2009 3.58 Ki=265uM 11
3d4z 1.39 2008 4.89 Ki=13uM 11
3dx2 1.40 2009 6.82 Ki=150nM 11
3ejr 1.27 2009 8.57 Ki=2.7nM 11
3l7b 2.00 2010 2.40 Ki=4.01mM 12
4eky 2.45 2012 3.52 Ki=303.0uM 12
3g2n 2.10 2010 4.09 Ki=81uM 12
3syr 2.40 2012 5.10 Ki=7.9uM 12
3ebp 2.00 2009 5.91 Ki=1.24uM 12
2w66 2.27 2009 4.05 Ki=89uM 13
2w4x 2.42 2009 4.85 Kd=14uM 13
2wca 2.30 2009 5.60 Ki=2.5uM 13
2xj7 2.00 2010 6.66 Ki=220nM 13
2vvn 1.85 2008 7.30 Kd=50nM 13
3aru 1.90 2011 3.22 Kd=600uM 14
3arv 1.50 2011 5.64 Kd=2.3uM 14
3ary 1.35 2011 6.00 Kd=1.0uM 14
3arq 1.50 2011 6.40 Kd=0.4uM 14
3arp 1.55 2011 7.15 Kd=0.07uM 14
4ih5 1.90 2013 4.11 Kd=78uM 15
4ih7 2.30 2013 5.24 Kd=5.8uM 15
3cj4 2.07 2008 6.51 Kd=0.31uM 15
4eo8 1.80 2012 8.15 Kd=7nM 15
3gnw 2.39 2009 9.10 Kd=0.79nM 15
1gpk 2.10 2002 5.37 Ki=4.3uM 16
1gpn 2.35 2002 6.48 Ki=0.334uM 16
1h23 2.15 2002 8.35 Ki=4.5nM 16
1h22 2.15 2002 9.10 Ki=0.8nM 16
1e66 2.10 2001 9.89 Ki=0.13nM 16
3f3a 2.00 2008 4.19 Ki=64.8uM 17
3f3c 2.10 2008 6.02 Ki=950nM 17
4mme 2.50 2013 6.50 Kd=318nM 17
3f3d 2.30 2008 7.16 Kd=69nM 17
3f3e 1.80 2008 7.70 Kd=20nM 17
2wbg 1.85 2009 4.45 Ki=35.2uM 18
2cbv 1.95 2006 5.48 Kd=3.3uM 18
2j78 1.65 2006 6.42 Kd=384nM 18
2j7h 1.95 2006 7.19 Kd=65nM 18
2cet 1.97 2006 8.02 Kd=9.6nM 18
3udh 1.70 2012 2.85 Kd=1.4mM 19
3rsx 2.48 2011 4.41 Kd=38.8uM 19
4djv 1.73 2012 6.72 Ki=0.19uM 19
2vkm 2.05 2008 8.74 Ki=1.8nM 19
4gid 2.00 2012 10.77 Ki=0.017nM 19
4jfs 2.00 2013 5.27 Ki=5.4uM 20
4j28 1.73 2013 5.70 Ki=2.0uM 20
2wvt 1.80 2010 6.12 Kd=755nM 20
2xii 1.80 2010 7.20 Kd=63.3nM 20
4pcs 1.77 2014 7.85 Ki=14nM 20
3rr4 1.68 2012 4.55 Ki=28.05uM 21
1s38 1.81 2004 5.15 Ki=7.0uM 21
1r5y 1.20 2004 6.46 Ki=0.35uM 21
3gc5 1.40 2009 7.26 Ki=55nM 21
3ge7 1.50 2009 8.70 Ki=2nM 21
4dli 1.91 2013 5.62 Kd=2.40uM 22
2zb1 2.50 2008 6.32 Kd=0.48uM 22
4f9w 2.00 2013 6.94 Ki=114nM 22
3e92 2.00 2008 8.00 Ki=10nM 22
3e93 2.00 2008 8.85 Ki=1.4nM 22
4owm 1.99 2014 2.96 Ki=1090uM 23
3twp 1.83 2012 3.92 Ki=119uM 23
3r88 1.73 2012 4.82 Ki=15uM 23
4gkm 1.67 2013 5.17 Ki=6.8uM 23
3qqs 1.97 2012 5.82 Ki=1.5uM 23
3gv9 1.80 2009 2.12 Ki=7.5mM 24
3gr2 1.80 2009 2.52 Ki=3mM 24
4kz6 1.68 2014 3.10 Ki=0.8mM 24
4jxs 1.90 2014 4.74 Ki=18uM 24
2r9w 1.80 2008 5.10 Ki=8uM 24
2hb1 2.00 2006 3.80 Ki=160uM 25
1bzc 2.35 1999 4.92 Ki=12uM 25
2qbr 2.30 2008 6.33 Ki=0.47uM 25
2qbq 2.10 2008 7.44 Ki=0.036uM 25
2qbp 2.50 2008 8.40 Ki=0.004uM 25
1q8t 2.00 2003 4.76 Kd=17.5uM 26
1ydr 2.20 1997 5.52 Ki=3.0uM 26
1q8u 1.90 2003 5.96 Kd=1.1uM 26
1ydt 2.30 1997 7.32 Ki=48nM 26
3ag9 2.00 2010 8.05 Ki=9nM 26
3fcq 1.75 2009 2.77 Ki=1.7mM 27
1z9g 1.70 2005 5.64 Ki=2.3uM 27
1qf1 2.00 1999 7.32 Ki=48nM 27
5tmn 1.60 1989 8.04 Ki=9.1nM 27
4tmn 1.70 1989 10.17 Ki=0.068nM 27
4ddk 1.75 2013 2.29 Kd=5.13mM 28
4ddh 2.07 2013 3.32 Kd=0.48mM 28
3ivg 1.95 2009 4.30 Kd=50uM 28
3coz 2.00 2008 5.57 Kd=2.7uM 28
3coy 2.03 2008 6.02 Kd=0.96uM 28
3pxf 1.80 2011 4.43 Kd=37uM 29
4eor 2.20 2013 6.30 Ki=500nM 29
2xnb 1.85 2010 6.83 Ki=149nM 29
1pxn 2.50 2004 7.15 Ki=0.07uM 29
2fvd 1.85 2006 8.52 Ki=3nM 29
4k77 2.40 2013 6.63 Ki=235nM 30
4e5w 1.86 2012 7.66 Ki=22nM 30
4ivb 1.90 2013 8.72 Ki=1.9nM 30
4ivd 1.93 2013 9.52 Ki=0.3nM 30
4ivc 2.35 2013 10.00 Ki=0.1nM 30
4f09 2.40 2012 6.70 Ki=200nM 31
4gfm 2.30 2013 7.22 Ki=0.06uM 31
4hge 2.30 2012 7.92 Ki=11.9nM 31
4e6q 1.95 2012 8.36 Ki=4.4nM 31
4jia 1.85 2013 9.22 Ki=0.6nM 31
2brb 2.10 2005 4.86 Ki=13.7uM 32
2br1 2.00 2005 5.14 Ki=7.2uM 32
3jvr 1.76 2009 5.72 Ki=1.89uM 32
3jvs 1.90 2009 6.54 Kd=0.29uM 32
1nvq 2.00 2003 8.25 Ki=5.6nM 32
3acw 1.63 2010 4.76 Ki=17.5uM 33
4ea2 2.05 2012 6.44 Ki=0.36uM 33
2zcr 1.92 2008 6.87 Ki=135nM 33
2zy1 1.78 2009 7.40 Ki=0.04uM 33
2zcq 2.38 2008 8.82 Ki=1.5nM 33
1bcu 2.00 1998 3.28 Kd=0.53mM 34
3bv9 1.80 2008 5.36 Ki=4.4uM 34
1oyt 1.67 2003 7.24 Ki=0.057uM 34
2zda 1.73 2008 8.40 Ki=4nM 34
3utu 1.55 2012 10.92 Ki=0.012nM 34
3u9q 1.52 2011 4.38 Ki=41.7uM 35
2yfe 2.00 2012 6.63 Ki=0.236uM 35
3fur 2.30 2009 8.00 Ki=10nM 35
3b1m 1.60 2011 8.48 Ki=3.3nM 35
2p4y 2.25 2008 9.00 Ki=1nM 35
3uo4 2.45 2012 6.52 Kd=299nM 36
3up2 2.30 2012 7.40 Kd=40nM 36
3e5a 2.30 2008 8.23 Ki=5.9nM 36
2wtv 2.40 2010 8.74 Ki=1.8nM 36
3myg 2.40 2010 10.70 Kd=0.02nM 36
3kgp 2.35 2009 2.57 Ki=2.68mM 37
1c5z 1.85 2000 4.01 Ki=97uM 37
1o5b 1.85 2004 5.77 Ki=1.7uM 37
1owh 1.61 2003 7.40 Ki=40nM 37
1sqa 2.00 2004 9.21 Ki=0.62nM 37
4jsz 1.90 2013 2.30 Ki=5000uM 38
3kwa 2.00 2010 4.08 Ki=84uM 38
2weg 1.10 2009 6.50 Kd=314nM 38
3ryj 1.39 2011 7.80 Kd=16nM 38
3dd0 1.48 2009 9.00 Ki=1nM 38
2xdl 1.98 2010 3.10 Kd=790uM 39
3b27 1.50 2011 5.16 Kd=6.9uM 39
1yc1 1.70 2005 6.17 Kd=680nM 39
3rlr 1.70 2011 7.52 Ki=30nM 39
2yki 1.67 2011 9.46 Kd=0.35nM 39
1z95 1.80 2005 7.12 Ki=76nM 40
3b68 1.90 2008 8.40 Ki=4nM 40
3b5r 1.80 2008 8.77 Ki=1.7nM 40
3b65 1.80 2008 9.27 Ki=0.54nM 40
3g0w 1.95 2009 9.52 Ki=0.3nM 40
4u4s 1.90 2014 2.92 Kd=1200uM 41
1p1q 2.00 2003 4.89 Kd=12.8uM 41
1syi 2.10 2005 5.44 Ki=3590nM 41
1p1n 1.60 2003 6.80 Kd=0.16uM 41
2al5 1.65 2005 8.40 Ki=4nM 41
3g2z 1.50 2009 2.36 Ki=4.4mM 42
3g31 1.70 2009 2.89 Ki=1.3mM 42
4de2 1.40 2012 4.12 Ki=76.0uM 42
4de3 1.44 2012 5.52 Ki=3.0uM 42
4de1 1.26 2012 5.96 Ki=1.1uM 42
1vso 1.85 2007 4.72 Ki=18.98uM 43
4dld 2.00 2012 5.82 Ki=1.5uM 43
3gbb 2.10 2009 6.90 Ki=126nM 43
3fv2 1.50 2010 8.11 Ki=7.7nM 43
3fv1 1.50 2010 9.30 Ki=0.5nM 43
4mgd 1.90 2014 4.69 Kd=20.19uM 44
2qe4 2.40 2007 7.96 Ki=11.0nM 44
1qkt 2.20 2000 9.04 Kd=0.92nM 44
2pog 1.84 2007 9.54 Ki=0.29nM 44
2p15 1.94 2007 10.30 Kd=50pM 44
2y5h 1.33 2011 5.79 Ki=1620nM 45
1lpg 2.00 2003 7.09 Ki=82nM 45
2xbv 1.66 2010 8.43 Kd=3.7nM 45
1z6e 1.80 2006 9.72 Ki=0.19nM 45
1mq6 2.10 2003 11.15 Ki=7pM 45
1nc3 2.20 2003 5.00 Ki=10uM 46
1nc1 2.00 2003 6.12 Ki=0.75uM 46
1y6r 2.20 2005 10.11 Ki=77pM 46
4f2w 2.00 2013 11.30 Ki=5.0pM 46
4f3c 1.93 2013 11.82 Ki=1.5pM 46
1uto 1.15 2004 2.27 Kd=5.32mM 47
4abg 1.52 2012 3.57 Kd=271uM 47
3gy4 1.55 2010 5.10 Kd=8uM 47
1k1i 2.20 2001 6.58 Kd=264nM 47
1o3f 1.55 2003 7.96 Ki=0.011uM 47
2yge 1.96 2011 5.06 Kd=8.62uM 48
2fxs 2.00 2007 6.06 Kd=0.87uM 48
2iwx 1.50 2006 6.68 Kd=0.21uM 48
2wer 1.60 2009 7.05 Kd=90nM 48
2vw5 1.90 2008 8.52 Kd=3nM 48
4kzq 2.25 2013 6.10 Kd=788nM 49
4kzu 2.10 2013 6.50 Ki=313nM 49
4j21 1.93 2013 7.41 Kd=39nM 49
4j3l 2.09 2013 7.80 Kd=16nM 49
3kr8 2.10 2009 8.10 Kd=8nM 49
2ymd 1.96 2012 3.16 Kd=693uM 50
2wnc 2.20 2009 6.32 Kd=479nM 50
2xys 1.91 2011 7.42 Ki=38nM 50
2wn9 1.75 2009 8.52 Kd=3.0nM 50
2x00 2.40 2010 11.33 Kd=4.7pM 50
3ozt 1.48 2011 4.13 Ki=74.9uM 51
3ozs 1.44 2011 5.33 Ki=4645nM 51
3oe5 1.52 2011 6.88 Ki=132nM 51
3oe4 1.49 2011 7.47 Ki=34nM 51
3nw9 1.65 2011 9.00 Ki=1nM 51
3ao4 1.95 2011 2.07 Kd=8.5mM 52
3zt2 1.70 2012 2.84 Kd=1435uM 52
3zsx 1.95 2012 3.28 Kd=519uM 52
4cig 1.70 2014 3.67 Kd=214uM 52
3zso 1.75 2012 5.12 Kd=7.6uM 52
3n7a 2.00 2011 3.70 Ki=200uM 53
4ciw 2.20 2014 4.82 Ki=15.0uM 53
3n86 1.90 2011 5.64 Ki=2.3uM 53
3n76 1.90 2011 6.85 Ki=0.14uM 53
2xb8 2.40 2010 7.59 Ki=26nM 53
4bkt 2.35 2013 3.62 Kd=240uM 54
4w9c 2.20 2014 4.65 Kd=22.2uM 54
4w9l 2.20 2014 5.02 Kd=9.52uM 54
4w9i 2.40 2014 5.96 Kd=1.10uM 54
4w9h 2.10 2014 6.73 Kd=0.185uM 54
3nq9 1.90 2010 4.03 Kd=92.6uM 55
3ueu 2.10 2011 5.24 Kd=5.81uM 55
3uev 1.90 2011 5.89 Kd=1.29uM 55
3uew 2.00 2011 6.31 Kd=0.49uM 55
3uex 2.10 2011 6.92 Kd=0.12uM 55
3lka 1.80 2010 2.82 Kd=1.5mM 56
3ehy 1.90 2009 5.85 Ki=1.4uM 56
3tsk 2.00 2012 7.17 Kd=67nM 56
3nx7 1.80 2010 8.10 Kd=7.88nM 56
4gr0 1.50 2013 9.55 Ki=0.28nM 56
3dxg 1.39 2009 2.40 Ki=4.0mM 57
3d6q 1.60 2009 3.76 Ki=172uM 57
1w4o 1.60 2005 5.22 Ki=6uM 57
1o0h 1.20 2003 5.92 Ki=1.2uM 57
1u1b 2.00 2005 7.80 Kd=16nM 57