molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3356030 |
|
IC50 |
< |
1.0 |
nM |
382.42 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)ccc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356029 |
OBDepict
F
S
HN
O
O
N
H
N
NH
2
F
F
F
|
IC50 |
= |
1.0 |
nM |
450.42 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(C(F)(F)F)ccc4F)cc3)ccc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3355031 |
OBDepict
CH
3
O
N
N
N
N
H
HN
S
O
O
F
H
3
C
|
IC50 |
= |
1.5 |
nM |
413.43 |
COc1nc(-c2ccc(NS(=O)(=O)c3cc(C)ccc3F)cc2)nc2[nH]ncc12 |
Homo sapiens |
CHEMBL3379050 |
single protein format |
CHEMBL3356049 |
OBDepict
H
3
C
S
F
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
2.0 |
nM |
398.42 |
Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cnc4c(N)n[nH]c4n3)cc2)c1 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356048 |
OBDepict
F
S
F
HN
O
O
N
N
N
H
N
NH
2
Cl
|
IC50 |
= |
2.0 |
nM |
436.83 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)c(F)cc4F)cc3)cnc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356044 |
OBDepict
H
3
C
O
S
Cl
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
2.0 |
nM |
430.88 |
COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3cnc4c(N)n[nH]c4n3)cc2)c1 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356024 |
OBDepict
Cl
Cl
S
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
2.0 |
nM |
433.32 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3092462 |
OBDepict
Cl
S
F
HN
O
O
F
N
N
N
H
N
NH
2
|
IC50 |
= |
2.0 |
nM |
436.83 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)c(F)c3)cnc12 |
Homo sapiens |
CHEMBL3095702 |
assay format |
CHEMBL3092463 |
OBDepict
Cl
S
Cl
HN
O
O
F
N
N
N
H
N
NH
2
|
IC50 |
= |
2.0 |
nM |
453.29 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c(F)c3)cnc12 |
Homo sapiens |
CHEMBL3095702 |
assay format |
CHEMBL3356059 |
OBDepict
Cl
S
Cl
HN
O
O
N
N
N
H
N
CH
3
|
IC50 |
= |
2.0 |
nM |
434.31 |
Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3)cnc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3092466 |
OBDepict
H
3
C
S
F
HN
O
O
N
N
N
H
N
CH
3
|
IC50 |
= |
2.0 |
nM |
397.44 |
Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cnc4c(C)n[nH]c4n3)cc2)c1 |
Homo sapiens |
CHEMBL3095702 |
assay format |
CHEMBL3356053 |
OBDepict
H
3
C
O
S
HN
O
O
N
N
N
H
N
NH
2
N
|
IC50 |
= |
2.0 |
nM |
421.44 |
COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(-c3cnc4c(N)n[nH]c4n3)cc2)c1 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3092467 |
OBDepict
H
3
C
O
S
Cl
HN
O
O
N
N
N
H
N
CH
3
|
IC50 |
= |
2.0 |
nM |
429.89 |
COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3cnc4c(C)n[nH]c4n3)cc2)c1 |
Homo sapiens |
CHEMBL3095702 |
assay format |
CHEMBL3356050 |
OBDepict
H
3
C
O
S
F
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
2.0 |
nM |
414.42 |
COc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cnc4c(N)n[nH]c4n3)cc2)c1 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3092460 |
OBDepict
Cl
Cl
S
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
3.0 |
nM |
435.3 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)cnc12 |
Homo sapiens |
CHEMBL3095702 |
assay format |
CHEMBL3092465 |
OBDepict
N
S
HN
O
O
N
N
N
H
N
CH
3
H
3
C
|
IC50 |
= |
3.0 |
nM |
404.46 |
Cc1ccc(C#N)c(S(=O)(=O)Nc2ccc(-c3cnc4c(C)n[nH]c4n3)cc2)c1 |
Homo sapiens |
CHEMBL3095702 |
assay format |
CHEMBL3356018 |
OBDepict
Br
S
S
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
3.0 |
nM |
449.36 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccc(Br)s4)cc3)ccc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356054 |
OBDepict
F
HN
S
N
O
O
Cl
Cl
N
N
H
N
NH
2
|
IC50 |
= |
3.0 |
nM |
453.29 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)c(F)c3)cnc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356060 |
OBDepict
N
S
HN
O
O
N
N
N
H
N
CH
3
Cl
|
IC50 |
= |
3.0 |
nM |
424.87 |
Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4C#N)cc3)cnc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356052 |
OBDepict
N
S
HN
O
O
N
N
N
H
N
NH
2
H
3
C
|
IC50 |
= |
3.0 |
nM |
405.44 |
Cc1ccc(C#N)c(S(=O)(=O)Nc2ccc(-c3cnc4c(N)n[nH]c4n3)cc2)c1 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3092464 |
OBDepict
Cl
S
F
HN
O
O
N
N
N
H
N
CH
3
|
IC50 |
= |
4.0 |
nM |
417.85 |
Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)cnc12 |
Homo sapiens |
CHEMBL3095702 |
assay format |
CHEMBL3356034 |
OBDepict
Br
S
Cl
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
4.0 |
nM |
477.77 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Br)ccc4Cl)cc3)ccc12 |
Homo sapiens |
CHEMBL3375441 |
single protein format |
CHEMBL3356039 |
OBDepict
Cl
S
Cl
S
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
4.0 |
nM |
441.33 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)sc4Cl)cc3)cnc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL564555 |
OBDepict
CH
3
H
3
C
O
OH
N
H
N
|
IC50 |
= |
5.0 |
nM |
370.45 |
CC(C)Cc1cc(-c2c[nH]c3ncc(-c4ccccc4)cc23)ccc1C(=O)O |
Homo sapiens |
CHEMBL1058020 |
single protein format |
CHEMBL3218297 |
OBDepict
CH
3
S
O
O
HO
O
N
H
N
H
S
N
OH
N
|
IC50 |
= |
5.0 |
nM |
422.49 |
CS(=O)(=O)O.O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1 |
Homo sapiens |
CHEMBL3224500 |
single protein format |
CHEMBL3356035 |
OBDepict
Br
S
F
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
6.0 |
nM |
461.32 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Br)ccc4F)cc3)ccc12 |
Homo sapiens |
CHEMBL3375441 |
single protein format |
CHEMBL3356026 |
OBDepict
N
Cl
S
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
6.0 |
nM |
423.89 |
N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3355033 |
OBDepict
CH
3
S
F
NH
O
O
N
N
O
N
H
N
O
N
H
|
IC50 |
= |
6.2 |
nM |
498.54 |
Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(OCC4CNCCO4)c4cn[nH]c4n3)cc2)c1 |
Homo sapiens |
CHEMBL3379050 |
single protein format |
CHEMBL3355032 |
OBDepict
H
3
C
S
F
HN
O
O
N
N
N
H
N
|
IC50 |
= |
6.5 |
nM |
423.47 |
Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(C4CC4)c4cn[nH]c4n3)cc2)c1 |
Homo sapiens |
CHEMBL3379050 |
single protein format |
CHEMBL3356037 |
OBDepict
Cl
S
F
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
7.0 |
nM |
416.87 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)ccc12 |
Homo sapiens |
CHEMBL3375441 |
single protein format |
CHEMBL3356031 |
OBDepict
F
F
S
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
9.0 |
nM |
400.41 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(F)c4F)cc3)ccc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356051 |
OBDepict
N
S
HN
O
O
N
N
N
H
N
NH
2
Cl
|
IC50 |
= |
10.0 |
nM |
425.86 |
N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2cnc3c(N)n[nH]c3n2)cc1 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL558642 |
OBDepict
OH
O
N
H
N
|
IC50 |
= |
13.0 |
nM |
382.46 |
O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1 |
Homo sapiens |
CHEMBL1058020 |
single protein format |
CHEMBL3356058 |
OBDepict
Cl
Cl
S
HN
O
O
N
N
N
H
N
CH
3
|
IC50 |
= |
13.0 |
nM |
434.31 |
Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)cnc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356025 |
OBDepict
Cl
S
Cl
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
14.0 |
nM |
433.32 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3)ccc12 |
Homo sapiens |
CHEMBL3375441 |
single protein format |
CHEMBL3356041 |
OBDepict
NH
2
N
N
N
H
N
HN
S
O
O
Cl
|
IC50 |
= |
14.0 |
nM |
400.85 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)cnc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356019 |
OBDepict
CH
3
N
N
S
NH
O
O
N
H
N
H
2
N
F
F
F
|
IC50 |
= |
14.0 |
nM |
436.42 |
Cn1cc(S(=O)(=O)Nc2ccc(-c3ccc4c(N)n[nH]c4c3)cc2)c(C(F)(F)F)n1 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
14.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL3807897 |
single protein format |
CHEMBL3356047 |
OBDepict
F
S
F
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
15.0 |
nM |
402.39 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)cnc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356038 |
OBDepict
H
N
N
N
NH
2
N
HN
S
O
O
|
IC50 |
= |
16.0 |
nM |
416.47 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3)cnc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356028 |
OBDepict
N
S
HN
O
O
N
H
N
NH
2
Cl
|
IC50 |
= |
17.0 |
nM |
423.89 |
N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1 |
Homo sapiens |
CHEMBL3375441 |
single protein format |
CHEMBL3978702 |
OBDepict
F
Cl
S
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
18.0 |
nM |
418.84 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4Cl)cc3)cnc12 |
Homo sapiens |
CHEMBL3887454 |
single protein format |
CHEMBL3356020 |
OBDepict
H
N
N
NH
2
HN
S
O
O
O
|
IC50 |
= |
19.0 |
nM |
354.39 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccco4)cc3)ccc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3355036 |
OBDepict
Cl
S
F
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
19.0 |
nM |
418.84 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)ncc12 |
Homo sapiens |
CHEMBL3379050 |
single protein format |
CHEMBL550110 |
OBDepict
CH
3
O
HO
N
H
N
|
IC50 |
= |
20.0 |
nM |
342.4 |
CCc1cc(-c2c[nH]c3ncc(-c4ccccc4)cc23)ccc1C(=O)O |
Homo sapiens |
CHEMBL1058020 |
single protein format |
CHEMBL3356042 |
OBDepict
F
Cl
S
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
21.0 |
nM |
418.84 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cccc(F)c4Cl)cc3)cnc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356046 |
OBDepict
NH
2
N
N
N
H
N
HN
S
O
O
F
|
IC50 |
= |
22.0 |
nM |
384.4 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)cnc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL4569508 |
OBDepict
O
N
H
S
F
F
F
N
N
N
O
N
|
IC50 |
= |
27.0 |
nM |
529.59 |
O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1 |
Homo sapiens |
CHEMBL4479778 |
assay format |
CHEMBL3356016 |
OBDepict
F
F
S
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
28.0 |
nM |
414.44 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)Cc4cc(F)ccc4F)cc3)ccc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356061 |
OBDepict
F
S
F
HN
O
O
N
N
N
H
N
CH
3
|
IC50 |
= |
29.0 |
nM |
401.4 |
Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)cnc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3911826 |
OBDepict
F
F
S
Cl
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
31.0 |
nM |
436.83 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4Cl)cc3)cnc12 |
Homo sapiens |
CHEMBL3887454 |
single protein format |
CHEMBL550795 |
OBDepict
OH
O
N
H
N
|
IC50 |
= |
40.0 |
nM |
314.34 |
O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1 |
Homo sapiens |
CHEMBL1058020 |
single protein format |
CHEMBL562931 |
OBDepict
N
N
N
H
CH
3
CH
3
O
HO
|
IC50 |
= |
40.0 |
nM |
381.44 |
CC(C)(C(=O)O)c1ccc(-c2c[nH]c3ncc(-c4cccc(C#N)c4)cc23)cc1 |
Homo sapiens |
CHEMBL1058020 |
single protein format |
CHEMBL3356027 |
OBDepict
N
S
CH
3
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
46.0 |
nM |
403.47 |
Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3896952 |
OBDepict
N
S
F
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
47.0 |
nM |
409.41 |
N#Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cnc4c(N)n[nH]c4n3)cc2)c1 |
Homo sapiens |
CHEMBL3887454 |
single protein format |
CHEMBL541759 |
OBDepict
HO
O
CH
3
CH
3
N
H
N
|
IC50 |
= |
50.0 |
nM |
356.43 |
CC(C)(C(=O)O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1 |
Homo sapiens |
CHEMBL1058020 |
single protein format |
CHEMBL3356033 |
OBDepict
H
3
C
O
S
Cl
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
51.0 |
nM |
428.9 |
COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3ccc4c(N)n[nH]c4c3)cc2)c1 |
Homo sapiens |
CHEMBL3375441 |
single protein format |
CHEMBL3355035 |
OBDepict
N
S
HN
O
O
N
N
N
H
N
NH
2
O
CH
3
|
IC50 |
= |
61.0 |
nM |
461.51 |
COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(-c3nc(C4CC4)c4c(N)n[nH]c4n3)cc2)c1 |
Homo sapiens |
CHEMBL3379051 |
cell-based format |
CHEMBL561526 |
OBDepict
OH
O
H
3
C
H
3
C
N
H
N
|
IC50 |
= |
63.0 |
nM |
406.49 |
CC(C)(C(=O)O)c1ccc(-c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)cc1 |
Homo sapiens |
CHEMBL1058020 |
single protein format |
CHEMBL549906 |
OBDepict
HO
O
N
H
N
|
IC50 |
= |
63.0 |
nM |
378.43 |
O=C(O)Cc1ccc(-c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)cc1 |
Homo sapiens |
CHEMBL1058020 |
single protein format |
CHEMBL3356021 |
OBDepict
Cl
S
Cl
S
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
63.0 |
nM |
439.35 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)sc4Cl)cc3)ccc12 |
Homo sapiens |
CHEMBL3375441 |
single protein format |
CHEMBL4550702 |
OBDepict
CH
3
N
N
N
N
N
S
NH
O
F
F
F
|
IC50 |
= |
63.0 |
nM |
406.39 |
Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4479778 |
assay format |
CHEMBL4441825 |
OBDepict
HO
H
N
H
H
H
N
H
O
F
O
F
Cl
N
Cl
CH
3
N
|
IC50 |
= |
102.0 |
nM |
499.35 |
Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@H](CCO)C[C@H]2c2ccc(F)c(F)c2)oc1Cl |
Homo sapiens |
CHEMBL4407463 |
single protein format |
CHEMBL3355027 |
OBDepict
N
S
HN
O
O
N
N
O
N
H
N
OH
Cl
|
IC50 |
= |
110.0 |
nM |
524.99 |
N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2nc(OC3CCC(O)CC3)c3cn[nH]c3n2)cc1 |
Homo sapiens |
CHEMBL3379051 |
cell-based format |
CHEMBL3355029 |
OBDepict
Cl
S
F
HN
O
O
N
N
O
N
H
N
H
H
OH
|
IC50 |
= |
120.0 |
nM |
517.97 |
O=S(=O)(Nc1ccc(-c2nc(O[C@H]3CC[C@H](O)CC3)c3cn[nH]c3n2)cc1)c1cc(Cl)ccc1F |
Homo sapiens |
CHEMBL3379051 |
cell-based format |
CHEMBL3356022 |
OBDepict
NH
2
N
N
H
HN
S
O
O
|
IC50 |
= |
124.0 |
nM |
364.43 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)ccc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL557108 |
OBDepict
OH
O
H
3
C
N
H
N
|
IC50 |
= |
125.0 |
nM |
392.46 |
CC(C(=O)O)c1ccc(-c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)cc1 |
Homo sapiens |
CHEMBL1058020 |
single protein format |
CHEMBL3355034 |
OBDepict
CH
3
CH
3
O
N
N
NH
2
N
N
H
HN
S
O
O
Cl
Cl
|
IC50 |
= |
130.0 |
nM |
507.4 |
CC(C)COc1nc(-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nc2[nH]nc(N)c12 |
Homo sapiens |
CHEMBL3379050 |
single protein format |
CHEMBL3356011 |
OBDepict
CH
3
O
OH
N
N
H
O
OH
|
IC50 |
= |
138.0 |
nM |
300.31 |
COc1cc(O)ccc1/C=N/NC(=O)Cc1cccc(O)c1 |
Homo sapiens |
CHEMBL3377873 |
single protein format |
CHEMBL4440965 |
OBDepict
H
3
C
NH
O
H
HN
H
H
NH
O
F
O
F
Cl
N
Cl
CH
3
N
|
IC50 |
= |
145.0 |
nM |
526.37 |
CNC(=O)C[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)CN1 |
Homo sapiens |
CHEMBL4407463 |
single protein format |
CHEMBL564697 |
OBDepict
H
N
N
N
N
N
H
N
|
IC50 |
= |
160.0 |
nM |
338.37 |
c1ccc(-c2cnc3[nH]cc(-c4ccc(-c5nnn[nH]5)cc4)c3c2)cc1 |
Homo sapiens |
CHEMBL1058020 |
single protein format |
CHEMBL3356036 |
OBDepict
Cl
F
S
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
169.0 |
nM |
416.87 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4F)cc3)ccc12 |
Homo sapiens |
CHEMBL3375441 |
single protein format |
CHEMBL3355030 |
OBDepict
CH
3
O
S
F
NH
O
O
N
N
O
N
H
N
H
H
3
C
H
OH
|
IC50 |
= |
170.0 |
nM |
527.58 |
COc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(O[C@H]4CC[C@H](O)CC4)c4c(C)n[nH]c4n3)cc2)c1 |
Homo sapiens |
CHEMBL3379051 |
cell-based format |
CHEMBL3356032 |
OBDepict
F
S
F
HN
O
O
N
H
N
NH
2
|
IC50 |
= |
186.0 |
nM |
400.41 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)ccc12 |
Homo sapiens |
CHEMBL3375441 |
single protein format |
CHEMBL3356040 |
OBDepict
H
2
N
NH
S
HN
O
O
N
N
N
H
N
NH
2
Cl
|
IC50 |
= |
196.0 |
nM |
430.88 |
NNc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2cnc3c(N)n[nH]c3n2)cc1 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL4568087 |
OBDepict
H
3
C
N
N
N
N
N
S
N
H
O
H
H
H
2
N
|
IC50 |
= |
200.0 |
nM |
421.53 |
Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4479778 |
assay format |
CHEMBL2436978 |
OBDepict
CH
3
N
N
N
N
H
N
H
|
IC50 |
= |
201.0 |
nM |
421.55 |
CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1 |
Homo sapiens |
CHEMBL2439754 |
single protein format |
CHEMBL3137336 |
OBDepict
H
2
N
N
H
H
O
O
F
Cl
F
N
Cl
H
3
C
N
|
IC50 |
= |
211.0 |
nM |
429.25 |
Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)oc1Cl |
Homo sapiens |
CHEMBL4407463 |
single protein format |
CHEMBL2205426 |
OBDepict
O
O
N
H
N
H
CH
3
H
3
C
CH
3
N
N
N
H
N
|
Ki |
= |
260.0 |
nM |
414.47 |
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O |
Homo sapiens |
CHEMBL2209627 |
single protein format |
CHEMBL3355028 |
OBDepict
NH
2
O
N
N
N
N
H
HN
S
O
O
Cl
Cl
|
IC50 |
= |
280.0 |
nM |
493.38 |
NCCCOc1nc(-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nc2[nH]ncc12 |
Homo sapiens |
CHEMBL3379051 |
cell-based format |
CHEMBL398606 |
OBDepict
CH
3
N
H
H
3
C
N
H
N
N
H
OH
HO
|
IC50 |
= |
290.0 |
nM |
414.51 |
CC(C)NCc1ccc(Nc2cc(-c3ccc(-c4ccc(O)cc4O)cc3)[nH]n2)cc1 |
Homo sapiens |
CHEMBL899106 |
single protein format |
CHEMBL3356015 |
OBDepict
H
N
N
NH
2
HN
S
O
O
|
IC50 |
= |
315.0 |
nM |
378.46 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)Cc4ccccc4)cc3)ccc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356023 |
OBDepict
NH
2
N
N
H
HN
S
O
O
Cl
|
IC50 |
= |
396.0 |
nM |
398.88 |
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)ccc12 |
Homo sapiens |
CHEMBL3375441 |
single protein format |
CHEMBL554730 |
OBDepict
H
2
N
N
H
N
|
IC50 |
= |
400.0 |
nM |
299.38 |
NCc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1 |
Homo sapiens |
CHEMBL1058020 |
single protein format |
CHEMBL3356045 |
OBDepict
Cl
S
HN
O
O
N
N
N
H
N
NH
2
F
F
F
|
IC50 |
= |
407.0 |
nM |
468.85 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)cc3)cnc12 |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356057 |
OBDepict
F
HN
S
N
O
O
Cl
Cl
N
N
H
N
|
IC50 |
= |
419.0 |
nM |
438.27 |
O=S(=O)(Nc1ccc(-c2cnc3cn[nH]c3n2)cc1F)c1cccc(Cl)c1Cl |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356055 |
OBDepict
Cl
S
Cl
HN
O
O
N
N
N
H
N
|
IC50 |
= |
439.0 |
nM |
420.28 |
O=S(=O)(Nc1ccc(-c2cnc3cn[nH]c3n2)cc1)c1cc(Cl)ccc1Cl |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL3356056 |
OBDepict
Cl
S
Cl
HN
O
O
F
N
N
N
H
N
|
IC50 |
= |
496.0 |
nM |
438.27 |
O=S(=O)(Nc1ccc(-c2cnc3cn[nH]c3n2)cc1F)c1cc(Cl)ccc1Cl |
Homo sapiens |
CHEMBL3375440 |
single protein format |
CHEMBL4638374 |
OBDepict
HO
NH
N
N
HN
N
N
|
Ki |
= |
600.0 |
nM |
400.49 |
OCCNc1nc(NCCc2ccccc2)c2cnn(/C=C/c3ccccc3)c2n1 |
Homo sapiens |
CHEMBL4615577 |
cell-based format |
CHEMBL2006765 |
OBDepict
CH
3
HN
O
N
H
N
N
HN
N
H
F
F
F
|
IC50 |
= |
606.0 |
nM |
392.39 |
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1 |
Homo sapiens |
CHEMBL4007745 |
single protein format |
CHEMBL3092461 |
OBDepict
Cl
S
Cl
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
630.0 |
nM |
435.3 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3)cnc12 |
Homo sapiens |
CHEMBL3095701 |
cell-based format |
CHEMBL3355026 |
OBDepict
OH
O
N
N
N
N
H
HN
S
O
O
F
Cl
|
IC50 |
= |
670.0 |
nM |
517.97 |
O=S(=O)(Nc1ccc(-c2nc(OC3CCC(O)CC3)c3cn[nH]c3n2)cc1)c1cc(Cl)ccc1F |
Homo sapiens |
CHEMBL3379051 |
cell-based format |
CHEMBL3092468 |
OBDepict
Cl
S
F
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
690.0 |
nM |
418.84 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)cnc12 |
Homo sapiens |
CHEMBL3095701 |
cell-based format |
CHEMBL590109 |
OBDepict
H
2
N
N
N
N
NH
2
N
N
S
H
|
IC50 |
= |
690.0 |
nM |
425.52 |
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21 |
Homo sapiens |
CHEMBL1072674 |
single protein format |
CHEMBL4552628 |
OBDepict
Cl
N
N
N
H
3
C
S
N
H
O
H
H
H
2
N
F
F
|
IC50 |
= |
810.0 |
nM |
425.89 |
Cc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnn2cc(Cl)cnc12 |
Homo sapiens |
CHEMBL4479778 |
assay format |
CHEMBL3355025 |
OBDepict
Cl
S
Cl
HN
O
O
N
N
N
H
N
CH
3
|
IC50 |
= |
830.0 |
nM |
434.31 |
Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3)ncc12 |
Homo sapiens |
CHEMBL3379051 |
cell-based format |