molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4466555 |
|
IC50 |
= |
1.0 |
nM |
514.9 |
Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)C1(c2ncnc3[nH]cnc23)CC1 |
Homo sapiens |
CHEMBL4331428 |
single protein format |
CHEMBL4207519 |
OBDepict
O
NH
N
O
O
H
H
H
N
N
H
F
F
F
|
IC50 |
= |
5.6 |
nM |
478.43 |
O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@@H](c5nc6ccc(C(F)(F)F)cc6[nH]5)[C@@H]3O4)ccnc2N1 |
Homo sapiens |
CHEMBL4194764 |
single protein format |
CHEMBL1336 |
OBDepict
CH
3
NH
O
N
O
N
H
NH
O
Cl
F
F
F
|
IC50 |
= |
7.1 |
nM |
464.83 |
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 |
Homo sapiens |
CHEMBL4050073 |
single protein format |
CHEMBL4438236 |
OBDepict
O
N
H
N
CH
3
N
N
H
HN
O
Cl
F
F
F
|
IC50 |
= |
8.6 |
nM |
513.91 |
Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)C1(c2ncnc3[nH]ccc23)CC1 |
Homo sapiens |
CHEMBL4331497 |
single protein format |
CHEMBL3890467 |
OBDepict
N
N
N
O
H
F
F
N
H
S
O
O
N
|
IC50 |
< |
10.0 |
nM |
439.4 |
N#Cc1ccnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccnc4)c3F)c12 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3979361 |
OBDepict
CH
3
S
N
H
O
O
F
F
O
N
H
N
HN
S
O
O
H
3
C
|
IC50 |
< |
10.0 |
nM |
548.59 |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(NS(C)(=O)=O)cc4)cc23)c1F |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3942381 |
OBDepict
CH
3
S
N
H
O
O
F
F
O
N
H
N
N
N
N
CH
3
H
3
C
|
IC50 |
< |
10.0 |
nM |
500.53 |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnc(N(C)C)nc4)cc23)c1F |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3899101 |
OBDepict
F
F
O
N
H
S
N
O
O
F
H
Cl
N
|
IC50 |
< |
10.0 |
nM |
465.84 |
O=C(c1c(F)ccc(NS(=O)(=O)c2ccccc2F)c1F)c1c[nH]c2nccc(Cl)c12 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3909499 |
OBDepict
CH
3
S
N
H
O
O
F
F
O
N
H
N
N
O
H
2
N
|
IC50 |
< |
10.0 |
nM |
499.5 |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C(N)=O)nc4)cc23)c1F |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3897700 |
OBDepict
H
3
C
N
N
N
H
O
F
F
N
H
S
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
498.56 |
CCCc1ccc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)CCC)c4F)c3c2)cn1 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3919966 |
OBDepict
CH
3
S
N
H
O
O
F
F
O
N
H
N
N
N
|
IC50 |
< |
10.0 |
nM |
525.58 |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(N5CCCC5)nc4)cc23)c1F |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3917210 |
OBDepict
CH
3
S
N
H
O
O
F
F
O
N
H
N
N
O
N
O
|
IC50 |
< |
10.0 |
nM |
585.63 |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OCCN5CCOCC5)nc4)cc23)c1F |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3958968 |
OBDepict
CH
3
S
N
H
O
O
F
F
O
N
H
N
N
O
N
|
IC50 |
< |
10.0 |
nM |
569.63 |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OCCN5CCCC5)nc4)cc23)c1F |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3961672 |
OBDepict
CH
3
S
N
H
O
O
F
F
O
N
H
N
N
HO
|
IC50 |
< |
10.0 |
nM |
472.47 |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(O)nc4)cc23)c1F |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3941565 |
OBDepict
CH
3
S
N
H
O
O
F
F
O
N
H
N
N
O
N
|
IC50 |
< |
10.0 |
nM |
583.66 |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OCCCN5CCCC5)nc4)cc23)c1F |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3896039 |
OBDepict
CH
3
S
N
H
O
O
F
F
O
N
H
N
N
O
N
O
|
IC50 |
< |
10.0 |
nM |
599.66 |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OCCCN5CCOCC5)nc4)cc23)c1F |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3945707 |
OBDepict
H
3
C
O
N
N
H
O
F
F
N
H
S
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
447.46 |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(C#CCOC)cc23)c1F |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3948349 |
OBDepict
H
3
C
S
N
H
O
O
F
F
O
N
H
N
CH
|
IC50 |
< |
10.0 |
nM |
403.41 |
C#Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)CCC)c3F)c2c1 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3981313 |
OBDepict
F
S
N
H
O
O
F
F
O
N
H
Cl
N
|
IC50 |
< |
10.0 |
nM |
465.84 |
O=C(c1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)c1c[nH]c2nccc(Cl)c12 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3896422 |
OBDepict
F
S
F
N
H
O
O
F
F
O
N
H
Cl
N
|
IC50 |
< |
10.0 |
nM |
483.83 |
O=C(c1c(F)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)c1c[nH]c2nccc(Cl)c12 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3923610 |
OBDepict
CH
3
S
N
H
O
O
F
O
N
H
N
N
N
N
CH
3
H
3
C
|
IC50 |
< |
10.0 |
nM |
482.54 |
CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4cnc(N(C)C)nc4)cc23)c1F |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3948750 |
OBDepict
H
3
C
N
N
H
O
F
F
N
H
S
O
O
F
|
IC50 |
< |
10.0 |
nM |
445.42 |
Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccc(F)c4)c3F)c2c1 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3986998 |
OBDepict
H
3
C
N
N
H
O
F
F
N
H
S
O
O
F
F
|
IC50 |
< |
10.0 |
nM |
463.41 |
Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c2c1 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3939013 |
OBDepict
H
3
C
N
N
H
O
F
F
N
H
S
O
O
F
|
IC50 |
< |
10.0 |
nM |
445.42 |
Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)c2c1 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3941703 |
OBDepict
N
N
N
H
O
F
F
N
H
S
O
O
F
|
IC50 |
< |
10.0 |
nM |
456.4 |
N#Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)c2c1 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3957835 |
OBDepict
H
3
C
O
N
N
H
O
F
F
N
H
S
O
O
F
F
|
IC50 |
< |
10.0 |
nM |
479.41 |
COc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c2c1 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3903656 |
OBDepict
H
3
C
O
N
N
H
O
F
F
N
H
S
O
O
F
|
IC50 |
< |
10.0 |
nM |
461.42 |
COc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)c2c1 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3918722 |
OBDepict
F
S
F
N
H
O
O
F
F
O
N
H
N
Cl
|
IC50 |
< |
10.0 |
nM |
483.83 |
O=C(c1c(F)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)c1c[nH]c2ncc(Cl)cc12 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3917962 |
OBDepict
CH
3
S
N
H
O
O
F
O
N
H
N
N
N
O
CH
3
|
IC50 |
< |
10.0 |
nM |
469.5 |
CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4cnc(OC)nc4)cc23)c1F |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3934437 |
OBDepict
N
N
N
O
H
F
F
N
H
S
O
O
F
|
IC50 |
< |
10.0 |
nM |
456.4 |
N#Cc1ccnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)c12 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3926189 |
OBDepict
N
N
N
O
H
F
F
N
H
S
O
O
F
F
|
IC50 |
< |
10.0 |
nM |
474.39 |
N#Cc1ccnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c12 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3890797 |
OBDepict
N
N
N
O
H
F
F
N
H
S
O
O
F
F
|
IC50 |
< |
10.0 |
nM |
474.39 |
N#Cc1ccnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c12 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3979607 |
OBDepict
N
N
N
O
H
F
F
N
H
S
O
O
F
|
IC50 |
< |
10.0 |
nM |
456.4 |
N#Cc1ccnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccc(F)c4)c3F)c12 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3916725 |
OBDepict
N
N
N
H
O
F
F
N
H
S
O
O
|
IC50 |
< |
10.0 |
nM |
438.42 |
N#Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4)c3F)c2c1 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3931676 |
OBDepict
N
N
N
H
O
F
N
H
S
O
O
|
IC50 |
< |
10.0 |
nM |
420.43 |
N#Cc1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3F)c2c1 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL72365 |
OBDepict
I
N
H
O
Br
Br
HO
|
IC50 |
= |
14.6 |
nM |
520.95 |
O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1 |
Homo sapiens |
CHEMBL4328310 |
single protein format |
CHEMBL4060057 |
OBDepict
CH
3
N
H
N
N
N
H
O
CH
3
N
H
O
Cl
F
F
F
|
IC50 |
= |
17.8 |
nM |
503.91 |
CNc1cc(C2(C(=O)Nc3cc(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc3C)CC2)ncn1 |
Homo sapiens |
CHEMBL4050073 |
single protein format |
CHEMBL2028663 |
OBDepict
H
2
N
N
N
S
N
H
3
C
H
3
C
CH
3
F
N
H
S
O
O
F
F
|
IC50 |
= |
26.0 |
nM |
519.57 |
CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1 |
Homo sapiens |
CHEMBL3578906 |
cell-based format |
CHEMBL3891833 |
OBDepict
CH
3
HN
N
N
CH
3
F
N
H
HN
O
CH
3
CH
3
CH
3
|
IC50 |
= |
31.0 |
nM |
409.51 |
CNc1cc2nc(C)c(-c3cc(NC(=O)NCCC(C)(C)C)ccc3F)cc2cn1 |
Homo sapiens |
CHEMBL3887602 |
cell-based format |
CHEMBL4087837 |
OBDepict
CH
3
N
H
3
C
NH
N
N
NH
O
CH
3
N
H
O
Cl
F
F
F
|
IC50 |
= |
34.1 |
nM |
575.03 |
Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)C1(c2cc(NCCCN(C)C)ncn2)CC1 |
Homo sapiens |
CHEMBL4050073 |
single protein format |
CHEMBL4080362 |
OBDepict
CH
3
HN
N
N
NH
O
CH
3
N
H
O
O
F
F
F
N
H
3
C
|
IC50 |
= |
37.6 |
nM |
596.65 |
CNc1cc(C2(C(=O)Nc3cc(C(=O)Nc4ccc(OCC5CCN(C)CC5)c(C(F)(F)F)c4)ccc3C)CC2)ncn1 |
Homo sapiens |
CHEMBL4050073 |
single protein format |
CHEMBL4066939 |
OBDepict
CH
3
N
H
N
N
N
H
O
CH
3
N
H
O
O
F
F
F
N
CH
3
|
IC50 |
= |
43.4 |
nM |
582.63 |
CNc1cc(C2(C(=O)Nc3cc(C(=O)Nc4ccc(OC5CCN(C)CC5)c(C(F)(F)F)c4)ccc3C)CC2)ncn1 |
Homo sapiens |
CHEMBL4050073 |
single protein format |
CHEMBL3577124 |
OBDepict
CH
3
N
H
N
N
N
H
3
C
CH
3
NH
F
N
H
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
44.0 |
nM |
424.52 |
CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1 |
Homo sapiens |
CHEMBL3578906 |
cell-based format |
CHEMBL4082425 |
OBDepict
O
N
H
N
CH
3
N
HN
N
H
O
N
Cl
F
F
F
|
IC50 |
= |
46.9 |
nM |
587.05 |
Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)C1(c2cc(NCCN3CCCC3)ncn2)CC1 |
Homo sapiens |
CHEMBL4050073 |
single protein format |
CHEMBL4586402 |
OBDepict
H
3
C
N
O
F
F
F
N
H
O
NH
CH
3
O
N
N
N
H
|
IC50 |
= |
52.4 |
nM |
592.62 |
Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)C1(c2ncnc3[nH]ccc23)CC1 |
Homo sapiens |
CHEMBL4331497 |
single protein format |
CHEMBL3968167 |
OBDepict
Cl
N
N
H
O
F
F
N
H
S
O
O
N
|
IC50 |
< |
100.0 |
nM |
448.84 |
O=C(c1c(F)ccc(NS(=O)(=O)c2cccnc2)c1F)c1c[nH]c2ncc(Cl)cc12 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3977421 |
OBDepict
H
3
C
N
N
H
O
F
F
N
H
S
O
O
N
|
IC50 |
< |
100.0 |
nM |
428.42 |
Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccnc4)c3F)c2c1 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3949599 |
OBDepict
CH
3
O
N
N
O
H
F
F
N
H
S
O
O
F
F
|
IC50 |
< |
100.0 |
nM |
479.41 |
COc1ccnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c12 |
Homo sapiens |
CHEMBL3880148 |
single protein format |
CHEMBL3963155 |
OBDepict
CH
3
NH
N
N
H
3
C
CH
3
N
H
F
NH
O
F
H
3
C
H
3
C
|
IC50 |
= |
120.0 |
nM |
427.5 |
CNc1cc2nc(C)c(-c3cc(NC(=O)NCCC(C)(C)F)c(F)cc3C)cc2cn1 |
Homo sapiens |
CHEMBL3887602 |
cell-based format |
CHEMBL4542639 |
OBDepict
CH
3
HN
O
H
2
N
O
N
H
O
Cl
F
F
F
|
IC50 |
= |
183.0 |
nM |
463.84 |
CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1N |
Homo sapiens |
CHEMBL4392745 |
single protein format |
CHEMBL4101882 |
OBDepict
CH
3
HN
N
N
N
H
O
CH
3
N
H
O
Cl
F
F
F
|
IC50 |
= |
194.0 |
nM |
503.91 |
CNc1nccc(C2(C(=O)Nc3cc(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc3C)CC2)n1 |
Homo sapiens |
CHEMBL4050073 |
single protein format |
CHEMBL4447617 |
OBDepict
CH
3
O
NH
O
O
H
2
N
N
H
O
H
3
C
|
IC50 |
= |
211.0 |
nM |
391.43 |
CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(OC)cc3)cc2)ccc1N |
Homo sapiens |
CHEMBL4392745 |
single protein format |
CHEMBL1229517 |
OBDepict
CH
3
S
N
H
O
O
F
F
O
N
H
N
Cl
|
IC50 |
= |
950.0 |
nM |
489.93 |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F |
Homo sapiens |
CHEMBL3578906 |
cell-based format |