molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3656868 |
|
IC50 |
= |
0.00015 |
nM |
458.97 |
N#CC1(CNc2nc(-c3cc(N[C@H]4CC[C@H](N)CC4)ncc3Cl)ccc2F)CCOCC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656876 |
OBDepict
N
N
H
O
N
F
Cl
N
NH
H
H
HO
|
IC50 |
= |
0.00016 |
nM |
459.95 |
N#CC1(CNc2nc(-c3cc(N[C@H]4CC[C@H](O)CC4)ncc3Cl)ccc2F)CCOCC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656866 |
OBDepict
CH
3
O
N
H
H
H
N
H
N
Cl
N
N
H
F
N
O
|
IC50 |
= |
0.00017 |
nM |
517.05 |
COCCN[C@H]1CC[C@H](Nc2cc(-c3ccc(F)c(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656869 |
OBDepict
CH
3
N
H
H
H
N
H
N
Cl
N
N
H
F
N
O
|
IC50 |
= |
0.00017 |
nM |
501.05 |
CCCN[C@H]1CC[C@H](Nc2cc(-c3ccc(F)c(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656867 |
OBDepict
CH
3
O
N
H
CH
3
H
H
H
N
H
N
Cl
N
N
H
F
N
O
|
IC50 |
= |
0.00023 |
nM |
531.08 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3ccc(F)c(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656877 |
OBDepict
N
N
H
O
N
Cl
N
N
H
H
H
HO
|
IC50 |
= |
0.00024 |
nM |
441.96 |
N#CC1(CNc2cccc(-c3cc(N[C@H]4CC[C@H](O)CC4)ncc3Cl)n2)CCOCC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656848 |
OBDepict
F
N
F
N
H
Cl
N
N
H
H
O
H
NH
2
|
IC50 |
= |
0.00026 |
nM |
451.95 |
N[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)c(F)cc3F)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656865 |
OBDepict
N
HN
O
N
F
Cl
N
N
H
H
H
NH
CH
3
O
O
|
IC50 |
= |
0.00027 |
nM |
545.06 |
CC1(N[C@H]2CC[C@H](Nc3cc(-c4ccc(F)c(NCC5(C#N)CCOCC5)n4)c(Cl)cn3)CC2)OCCO1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656878 |
OBDepict
CH
3
N
H
H
H
N
H
N
Cl
N
N
H
N
O
|
IC50 |
= |
0.00028 |
nM |
469.03 |
CCN[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656841 |
OBDepict
CH
3
O
N
H
CH
3
H
H
H
N
H
N
Cl
N
N
H
N
O
|
IC50 |
= |
0.0003 |
nM |
513.09 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656879 |
OBDepict
N
N
H
O
N
Cl
N
HN
H
H
N
CH
3
CH
3
|
IC50 |
= |
0.0003 |
nM |
469.03 |
CN(C)[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656843 |
OBDepict
Cl
N
N
N
H
N
H
H
F
H
3
C
H
H
2
N
O
|
IC50 |
= |
0.0003 |
nM |
447.99 |
CC1(CNc2nc(-c3cc(N[C@H]4CC[C@H](N)CC4)ncc3Cl)ccc2F)CCOCC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656870 |
OBDepict
CH
3
N
H
CH
3
H
N
H
N
Cl
N
N
H
F
N
O
|
IC50 |
= |
0.00031 |
nM |
543.13 |
CCCN(CCC)[C@H]1CC[C@H](Nc2cc(-c3ccc(F)c(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656880 |
OBDepict
N
N
H
O
N
Cl
N
N
H
H
H
N
H
O
F
F
F
|
IC50 |
= |
0.00036 |
nM |
553.03 |
N#CC1(CNc2cccc(-c3cc(N[C@H]4CC[C@H](NCCOC(F)(F)F)CC4)ncc3Cl)n2)CCOCC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656881 |
OBDepict
N
N
H
O
N
Cl
N
N
H
H
H
N
H
O
|
IC50 |
= |
0.00043 |
nM |
525.1 |
N#CC1(CNc2cccc(-c3cc(N[C@H]4CC[C@H](NC5CCOCC5)CC4)ncc3Cl)n2)CCOCC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656856 |
OBDepict
Cl
N
N
N
H
NH
H
F
H
NH
O
S
O
O
CH
3
|
IC50 |
= |
0.00049 |
nM |
540.11 |
CS(=O)(=O)CCN[C@H]1CC[C@H](Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656882 |
OBDepict
CH
3
O
N
H
H
H
N
H
N
Cl
N
N
H
F
O
|
IC50 |
= |
0.00063 |
nM |
492.04 |
COCCN[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(F)CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656883 |
OBDepict
CH
3
O
N
H
CH
3
H
H
H
N
H
N
Cl
N
N
H
H
3
C
S
O
O
|
IC50 |
= |
0.0007 |
nM |
550.17 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C)CCS(=O)(=O)CC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656844 |
OBDepict
Cl
N
N
HN
N
H
H
F
H
NH
2
O
|
IC50 |
= |
0.001 |
nM |
433.96 |
N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(F)CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656817 |
OBDepict
Cl
N
N
N
H
N
H
H
H
H
2
N
H
CH
3
O
H
H
3
C
|
IC50 |
= |
0.001 |
nM |
444.02 |
C[C@H]1CC(CNc2cccc(-c3cc(N[C@H]4CC[C@H](N)CC4)ncc3Cl)n2)C[C@@H](C)O1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656816 |
OBDepict
H
3
C
O
N
H
H
H
N
H
N
Cl
N
F
HN
O
|
IC50 |
= |
0.001 |
nM |
492.04 |
COCCN[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3F)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656853 |
OBDepict
H
3
C
O
NH
H
3
C
H
H
H
HN
N
Cl
N
Cl
N
H
H
O
|
IC50 |
= |
0.001 |
nM |
522.52 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3nc(NC[C@@H]4CCCOC4)ccc3Cl)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656871 |
OBDepict
Cl
N
N
NH
N
H
H
F
H
3
C
H
N
H
O
S
O
O
|
IC50 |
= |
0.001 |
nM |
580.17 |
CC1(CNc2nc(-c3cc(N[C@H]4CC[C@H](NC5CCS(=O)(=O)CC5)CC4)ncc3Cl)ccc2F)CCOCC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656884 |
OBDepict
CH
3
N
H
H
3
C
H
NH
N
Cl
N
N
H
N
O
|
IC50 |
= |
0.001 |
nM |
497.09 |
CCN(CC)[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656857 |
OBDepict
H
3
C
O
NH
H
3
C
H
H
H
HN
N
Cl
N
Cl
N
H
H
O
|
IC50 |
= |
0.001 |
nM |
522.52 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3nc(NC[C@H]4CCCOC4)ccc3Cl)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656842 |
OBDepict
Cl
N
N
N
H
N
H
H
CH
3
H
NH
2
O
|
IC50 |
= |
0.001 |
nM |
430.0 |
CC1(CNc2cccc(-c3cc(N[C@H]4CC[C@H](N)CC4)ncc3Cl)n2)CCOCC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656872 |
OBDepict
Cl
N
N
N
H
N
H
F
H
3
C
N
H
O
S
O
O
|
IC50 |
= |
0.001 |
nM |
552.12 |
CC1(CNc2nc(-c3cc(NC4CCC(NC5CS(=O)(=O)C5)CC4)ncc3Cl)ccc2F)CCOCC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656875 |
OBDepict
CH
3
O
N
H
H
H
N
H
N
Cl
N
N
H
HO
O
|
IC50 |
= |
0.001 |
nM |
504.08 |
COCCN[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(CO)CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656858 |
OBDepict
CH
3
O
N
H
CH
3
H
H
H
N
H
N
Cl
N
N
H
H
O
CH
3
CH
3
|
IC50 |
= |
0.001 |
nM |
516.13 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@H]4CCOC(C)(C)C4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656859 |
OBDepict
H
3
C
O
N
H
H
3
C
H
H
H
N
H
N
Cl
N
N
H
O
H
3
C
CH
3
|
IC50 |
= |
0.001 |
nM |
516.13 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCOC(C)(C)C4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656861 |
OBDepict
Cl
N
N
HN
N
H
H
F
H
N
H
O
S
O
O
|
IC50 |
= |
0.001 |
nM |
580.17 |
O=S1(=O)CCC(CN[C@H]2CC[C@H](Nc3cc(-c4ccc(F)c(NCC5CCOCC5)n4)c(Cl)cn3)CC2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656862 |
OBDepict
Cl
N
N
N
H
HN
H
F
CH
3
H
NH
O
S
O
O
|
IC50 |
= |
0.001 |
nM |
566.14 |
CC1(CNc2nc(-c3cc(N[C@H]4CC[C@H](NC5CCS(=O)(=O)C5)CC4)ncc3Cl)ccc2F)CCOCC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656864 |
OBDepict
Cl
N
N
N
H
N
H
H
F
H
3
C
H
HN
O
H
3
C
O
O
|
IC50 |
= |
0.001 |
nM |
534.08 |
CC1(CNc2nc(-c3cc(N[C@H]4CC[C@H](NC5(C)OCCO5)CC4)ncc3Cl)ccc2F)CCOCC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656874 |
OBDepict
CH
3
O
N
H
CH
3
H
H
H
N
H
N
Cl
N
N
H
HO
O
|
IC50 |
= |
0.001 |
nM |
518.1 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(CO)CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656819 |
OBDepict
Cl
N
N
N
H
Br
N
H
H
H
NH
2
O
|
IC50 |
= |
0.001 |
nM |
494.87 |
N[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Br)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656829 |
OBDepict
Cl
N
NH
Cl
N
N
H
H
O
H
3
C
CH
3
H
OH
|
IC50 |
= |
0.001 |
nM |
479.45 |
CC1(C)CC(CNc2ccc(Cl)c(-c3cc(N[C@H]4CC[C@H](O)CC4)ncc3Cl)n2)CCO1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656839 |
OBDepict
CH
3
O
N
H
CH
3
H
H
H
N
H
N
Cl
N
N
H
F
F
F
O
|
IC50 |
= |
0.001 |
nM |
556.07 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3ccc(C(F)(F)F)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656824 |
OBDepict
H
3
C
O
N
H
H
3
C
H
H
H
N
H
N
Cl
N
Cl
HN
O
|
IC50 |
= |
0.001 |
nM |
522.52 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3639557 |
OBDepict
CH
3
O
N
H
CH
3
H
H
H
N
H
N
Cl
N
N
H
O
H
3
C
O
|
IC50 |
= |
0.001 |
nM |
518.1 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(OC)CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656845 |
OBDepict
CH
3
O
N
H
H
H
N
H
N
Cl
N
N
H
F
O
|
IC50 |
= |
0.001 |
nM |
492.04 |
COCCN[C@H]1CC[C@H](Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656826 |
OBDepict
H
3
C
O
N
H
H
3
C
H
H
H
N
H
N
Cl
N
F
HN
O
|
IC50 |
= |
0.001 |
nM |
506.07 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3F)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656827 |
OBDepict
CH
3
O
N
H
CH
3
H
H
H
N
H
N
Cl
N
N
H
F
O
|
IC50 |
= |
0.001 |
nM |
506.07 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656830 |
OBDepict
Cl
N
N
N
H
Cl
N
H
H
H
HN
O
CH
3
CH
3
HO
H
F
F
F
|
IC50 |
= |
0.001 |
nM |
590.52 |
CC1(C)CC(CNc2ccc(Cl)c(-c3cc(N[C@H]4CC[C@H](NC[C@H](O)C(F)(F)F)CC4)ncc3Cl)n2)CCO1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656850 |
OBDepict
Cl
N
N
HN
Cl
NH
H
H
N
H
O
H
O
O
H
3
C
CH
3
|
IC50 |
= |
0.001 |
nM |
564.56 |
CC1(C)OC[C@@H](CN[C@H]2CC[C@H](Nc3cc(-c4nc(NCC5CCOCC5)ccc4Cl)c(Cl)cn3)CC2)O1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656831 |
OBDepict
Cl
N
N
N
H
Cl
N
H
H
H
HN
O
CH
3
CH
3
HO
H
F
F
F
|
IC50 |
= |
0.001 |
nM |
590.52 |
CC1(C)CC(CNc2ccc(Cl)c(-c3cc(N[C@H]4CC[C@H](NC[C@@H](O)C(F)(F)F)CC4)ncc3Cl)n2)CCO1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656834 |
OBDepict
Cl
N
N
N
H
Cl
N
H
H
H
NH
O
O
F
F
F
|
IC50 |
= |
0.001 |
nM |
562.46 |
FC(F)(F)OCCN[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656873 |
OBDepict
Cl
N
N
NH
Cl
HN
N
H
O
S
O
O
|
IC50 |
= |
0.002 |
nM |
582.6 |
O=S1(=O)CCC(NC2CCC(Nc3cc(-c4nc(NCC5CCOCC5)ccc4Cl)c(Cl)cn3)CC2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656860 |
OBDepict
CH
3
O
N
H
CH
3
H
H
H
N
H
N
Cl
N
N
H
H
O
CH
3
CH
3
|
IC50 |
= |
0.002 |
nM |
516.13 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@@H]4CCOC(C)(C)C4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656818 |
OBDepict
CH
3
O
N
H
H
H
N
H
N
Cl
N
N
H
H
H
3
C
O
H
H
3
C
|
IC50 |
= |
0.002 |
nM |
502.1 |
COCCN[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4C[C@H](C)O[C@H](C)C4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656854 |
OBDepict
Cl
N
N
N
H
HN
H
F
H
N
H
O
O
|
IC50 |
= |
0.002 |
nM |
504.05 |
Fc1ccc(-c2cc(N[C@H]3CC[C@H](NCC4CCO4)CC3)ncc2Cl)nc1NCC1CCOCC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656825 |
OBDepict
H
3
C
O
N
H
H
H
N
H
N
Cl
N
Br
HN
O
|
IC50 |
= |
0.002 |
nM |
552.95 |
COCCN[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Br)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656823 |
OBDepict
Cl
N
N
N
H
Cl
N
H
H
H
NH
O
OH
H
F
F
F
|
IC50 |
= |
0.002 |
nM |
562.46 |
O[C@@H](CN[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1)C(F)(F)F |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656820 |
OBDepict
CH
3
O
N
H
CH
3
H
H
H
N
H
N
Cl
N
N
H
O
|
IC50 |
= |
0.003 |
nM |
488.08 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656852 |
OBDepict
Cl
N
N
HN
N
H
H
F
H
N
H
O
S
O
O
|
IC50 |
= |
0.003 |
nM |
552.12 |
O=S1(=O)CCC(N[C@H]2CC[C@H](Nc3cc(-c4ccc(F)c(NCC5CCOCC5)n4)c(Cl)cn3)CC2)C1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656833 |
OBDepict
Cl
N
N
HN
N
H
H
H
N
H
O
O
F
F
F
|
IC50 |
= |
0.003 |
nM |
528.02 |
FC(F)(F)OCCN[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656821 |
OBDepict
Cl
N
N
HN
N
H
H
H
N
H
O
OH
H
F
F
F
|
IC50 |
= |
0.003 |
nM |
528.02 |
O[C@H](CN[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1)C(F)(F)F |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656885 |
OBDepict
CH
3
O
N
H
CH
3
H
H
H
N
H
N
Cl
N
N
H
F
HO
HO
|
IC50 |
= |
0.0031 |
nM |
496.03 |
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3ccc(F)c(NCC(CO)CO)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656822 |
OBDepict
Cl
N
N
HN
N
H
H
H
N
H
O
OH
H
F
F
F
|
IC50 |
= |
0.004 |
nM |
528.02 |
O[C@@H](CN[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1)C(F)(F)F |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656849 |
OBDepict
CH
3
N
H
S
O
O
H
3
C
H
H
N
H
N
Cl
N
N
H
F
O
|
IC50 |
= |
0.004 |
nM |
554.13 |
CC(CS(C)(=O)=O)N[C@H]1CC[C@H](Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656863 |
OBDepict
Cl
N
N
N
H
HN
H
F
H
NH
O
CH
3
O
O
|
IC50 |
= |
0.004 |
nM |
520.05 |
CC1(N[C@H]2CC[C@H](Nc3cc(-c4ccc(F)c(NCC5CCOCC5)n4)c(Cl)cn3)CC2)OCCO1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653024 |
OBDepict
CH
3
O
N
H
H
H
N
H
N
Cl
N
N
H
F
|
IC50 |
= |
0.0079 |
nM |
484.02 |
COCCN[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653032 |
OBDepict
F
N
H
N
Cl
HN
N
H
HN
|
IC50 |
= |
0.0079 |
nM |
439.97 |
Fc1cccc(CNc2cccc(-c3cc(NCC[C@H]4CCCNC4)ncc3Cl)n2)c1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656799 |
OBDepict
Cl
N
Cl
N
H
Cl
N
N
H
H
O
H
NH
2
|
IC50 |
= |
0.00794 |
nM |
484.86 |
N[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)c(Cl)cc3Cl)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656803 |
OBDepict
Cl
N
N
NH
Cl
NH
H
H
N
H
O
H
O
|
IC50 |
= |
0.00794 |
nM |
534.53 |
Clc1cnc(N[C@H]2CC[C@H](NC[C@@H]3CCCO3)CC2)cc1-c1nc(NCC2CCOCC2)ccc1Cl |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656796 |
OBDepict
Cl
N
N
HN
N
N
H
H
H
H
OH
O
|
IC50 |
= |
0.00794 |
nM |
417.94 |
O[C@H]1CC[C@H](Nc2cc(-c3cncc(NC[C@H]4CCCOC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656786 |
OBDepict
Cl
N
N
H
Cl
N
N
H
H
O
H
H
2
N
|
IC50 |
= |
0.00794 |
nM |
450.41 |
N[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656804 |
OBDepict
Cl
N
N
NH
Cl
NH
H
H
N
H
O
O
O
|
IC50 |
= |
0.00794 |
nM |
550.53 |
Clc1cnc(N[C@H]2CC[C@H](NCC3COCCO3)CC2)cc1-c1nc(NCC2CCOCC2)ccc1Cl |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656795 |
OBDepict
Cl
N
N
HN
N
N
H
H
H
H
NH
2
O
|
IC50 |
= |
0.00794 |
nM |
416.96 |
N[C@H]1CC[C@H](Nc2cc(-c3cncc(NC[C@@H]4CCCOC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656794 |
OBDepict
Cl
N
N
HN
N
N
H
H
H
H
NH
2
O
|
IC50 |
= |
0.00794 |
nM |
416.96 |
N[C@H]1CC[C@H](Nc2cc(-c3cncc(NC[C@H]4CCCOC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656793 |
OBDepict
F
N
N
N
H
Cl
N
H
H
H
NH
2
O
|
IC50 |
= |
0.00794 |
nM |
433.96 |
N[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(F)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656792 |
OBDepict
HO
HN
H
H
NH
N
Cl
N
Cl
NH
O
|
IC50 |
= |
0.00794 |
nM |
494.47 |
OCCN[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656790 |
OBDepict
Cl
N
N
N
H
N
H
H
H
H
H
2
N
O
CH
3
H
3
C
|
IC50 |
= |
0.00794 |
nM |
444.02 |
CC1(C)C[C@@H](CNc2cccc(-c3cc(N[C@H]4CC[C@H](N)CC4)ncc3Cl)n2)CCO1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656789 |
OBDepict
Cl
N
N
N
H
N
H
H
H
H
H
2
N
O
CH
3
H
3
C
|
IC50 |
= |
0.00794 |
nM |
444.02 |
CC1(C)C[C@H](CNc2cccc(-c3cc(N[C@H]4CC[C@H](N)CC4)ncc3Cl)n2)CCO1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656797 |
OBDepict
Cl
N
N
HN
N
N
H
H
H
H
OH
O
|
IC50 |
= |
0.00794 |
nM |
417.94 |
O[C@H]1CC[C@H](Nc2cc(-c3cncc(NC[C@@H]4CCCOC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656785 |
OBDepict
CH
3
O
N
H
H
H
N
H
N
Cl
N
N
N
H
3
C
O
|
IC50 |
= |
0.00794 |
nM |
489.06 |
COCCN[C@H]1CC[C@H](Nc2cc(-c3cncc(N(C)CC4CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653070 |
OBDepict
CH
3
N
H
O
H
H
NH
N
Cl
N
N
H
F
|
IC50 |
= |
0.00794 |
nM |
453.95 |
CNC(=O)[C@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656805 |
OBDepict
H
3
C
O
N
CH
3
H
H
HN
N
Cl
N
Cl
HN
O
|
IC50 |
= |
0.00794 |
nM |
522.52 |
COCCN(C)[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653069 |
OBDepict
Cl
N
N
HN
N
N
H
H
H
NH
2
O
|
IC50 |
= |
0.00794 |
nM |
416.96 |
N[C@H]1CC[C@H](Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653066 |
OBDepict
OH
N
H
H
H
N
H
N
Cl
N
N
H
F
|
IC50 |
= |
0.00794 |
nM |
484.02 |
OCCCN[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653065 |
OBDepict
CH
3
O
N
H
3
C
H
H
NH
N
Cl
N
N
H
F
|
IC50 |
= |
0.00794 |
nM |
498.05 |
COCCN(C)[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653063 |
OBDepict
F
N
H
N
F
N
HN
H
H
NH
2
|
IC50 |
= |
0.00794 |
nM |
409.48 |
N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(F)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3652918 |
OBDepict
CH
3
N
H
N
Cl
N
N
H
H
H
H
2
N
|
IC50 |
= |
0.00794 |
nM |
421.98 |
Cc1ccc(CNc2cccc(-c3cc(N[C@H]4CC[C@H](N)CC4)ncc3Cl)n2)cc1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653059 |
OBDepict
CH
3
O
N
H
H
H
N
H
N
Cl
N
N
H
F
F
|
IC50 |
= |
0.00794 |
nM |
502.01 |
COCCN[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cc(F)cc(F)c4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653058 |
OBDepict
F
N
H
N
Cl
N
HN
H
H
NH
2
|
IC50 |
= |
0.00794 |
nM |
411.91 |
N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653057 |
OBDepict
F
N
H
N
Cl
N
HN
H
H
NH
2
|
IC50 |
= |
0.00794 |
nM |
411.91 |
N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653055 |
OBDepict
OH
HN
N
Cl
N
NH
F
F
|
IC50 |
= |
0.00794 |
nM |
404.85 |
OCCCNc1cc(-c2cccc(NCc3cc(F)cc(F)c3)n2)c(Cl)cn1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653054 |
OBDepict
NH
2
N
H
N
Cl
N
N
H
F
F
|
IC50 |
= |
0.00794 |
nM |
417.89 |
NCCCCNc1cc(-c2cccc(NCc3cc(F)cc(F)c3)n2)c(Cl)cn1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653052 |
OBDepict
OH
N
H
N
Cl
N
N
H
F
|
IC50 |
= |
0.00794 |
nM |
400.89 |
OCCCCNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653049 |
OBDepict
F
N
H
N
Cl
N
HN
H
H
OH
|
IC50 |
= |
0.00794 |
nM |
412.9 |
O[C@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653047 |
OBDepict
OH
H
H
N
H
N
Cl
N
N
H
F
|
IC50 |
= |
0.00794 |
nM |
440.95 |
OC[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653074 |
OBDepict
Cl
N
N
HN
N
N
H
H
H
OH
O
|
IC50 |
= |
0.00794 |
nM |
417.94 |
O[C@H]1CC[C@H](Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656810 |
OBDepict
Cl
N
N
N
H
N
H
H
H
NH
O
H
O
|
IC50 |
= |
0.00794 |
nM |
500.09 |
Clc1cnc(N[C@H]2CC[C@H](NC[C@H]3CCCO3)CC2)cc1-c1cccc(NCC2CCOCC2)n1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653064 |
OBDepict
CH
3
N
H
3
C
H
H
NH
N
Cl
N
N
H
F
F
|
IC50 |
= |
0.00794 |
nM |
471.98 |
CN(C)[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cc(F)cc(F)c4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656791 |
OBDepict
H
3
C
O
N
H
H
H
N
H
N
Cl
N
Cl
HN
O
|
IC50 |
= |
0.00794 |
nM |
508.49 |
COCCN[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656815 |
OBDepict
F
N
N
H
Cl
N
N
H
H
O
H
H
2
N
|
IC50 |
= |
0.00794 |
nM |
433.96 |
N[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3F)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656811 |
OBDepict
Cl
N
N
N
H
N
H
H
H
NH
O
H
O
|
IC50 |
= |
0.00794 |
nM |
500.09 |
Clc1cnc(N[C@H]2CC[C@H](NC[C@@H]3CCCO3)CC2)cc1-c1cccc(NCC2CCOCC2)n1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3656756 |
OBDepict
Cl
N
N
N
H
Cl
N
N
H
H
H
NH
2
O
|
IC50 |
= |
0.007945 |
nM |
451.4 |
N[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)cnc3Cl)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653087 |
OBDepict
Cl
N
N
NH
N
N
H
H
Cl
H
HO
O
|
IC50 |
= |
0.007945 |
nM |
452.39 |
O[C@H]1CC[C@H](Nc2cc(-c3cnc(Cl)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653086 |
OBDepict
Cl
N
N
NH
N
N
H
H
Cl
H
H
2
N
O
|
IC50 |
= |
0.007945 |
nM |
451.4 |
N[C@H]1CC[C@H](Nc2cc(-c3cnc(Cl)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |
CHEMBL3653085 |
OBDepict
HO
H
H
NH
N
Cl
N
N
H
F
|
IC50 |
= |
0.007945 |
nM |
426.92 |
OC[C@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 |
Homo sapiens |
CHEMBL3705381 |
single protein format |