molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3617063 |
|
IC50 |
= |
0.8 |
nM |
534.96 |
Nc1nc2cc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)Nc4ncns4)cc3F)ccc2[nH]1 |
Homo sapiens |
CHEMBL3806747 |
cell-based format |
CHEMBL501134 |
OBDepict
HN
N
H
HN
H
N
H
NH
OH
HO
O
NH
O
H
2
N
|
IC50 |
= |
1.1 |
nM |
299.29 |
N=C1N[C@H]2[C@H](COC(N)=O)NC(=N)N3CCC(O)(O)[C@]23N1 |
Homo sapiens |
CHEMBL4321996 |
cell-based format |
CHEMBL507974 |
OBDepict
HO
OH
H
O
H
O
H
OH
H
OH
N
H
H
OH
N
H
OH
H
2
N
|
IC50 |
= |
2.3 |
nM |
319.27 |
NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO |
Homo sapiens |
CHEMBL4321996 |
cell-based format |
CHEMBL3341983 |
OBDepict
Cl
O
F
O
NH
2
N
F
S
NH
O
O
N
S
N
|
IC50 |
= |
11.0 |
nM |
535.94 |
Nc1noc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)Nc4ncns4)cc3F)cc12 |
Homo sapiens |
CHEMBL3806747 |
cell-based format |
CHEMBL3662190 |
OBDepict
O
N
H
S
F
O
O
O
H
3
C
|
IC50 |
= |
38.0 |
nM |
435.56 |
CC1(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CCC2(CC1)CC2 |
Homo sapiens |
CHEMBL4321996 |
cell-based format |
CHEMBL4290579 |
OBDepict
O
S
N
H
O
N
N
N
O
|
IC50 |
= |
92.0 |
nM |
442.59 |
O=S(=O)(Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(C3CC3)cn12)C1CC1 |
Homo sapiens |
CHEMBL4256592 |
cell-based format |
CHEMBL2325014 |
OBDepict
Cl
O
N
NH
2
N
H
Cl
F
S
NH
O
O
N
S
|
IC50 |
= |
160.0 |
nM |
500.36 |
Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl |
Homo sapiens |
CHEMBL4321996 |
cell-based format |
CHEMBL3707218 |
OBDepict
O
N
O
O
O
O
F
F
F
|
IC50 |
= |
170.0 |
nM |
429.35 |
O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2[C@]12COc1cc3c(cc12)OCO3 |
Homo sapiens |
CHEMBL4321996 |
cell-based format |
CHEMBL4279238 |
OBDepict
H
3
C
S
HN
O
O
N
N
N
O
|
IC50 |
= |
190.0 |
nM |
416.55 |
CS(=O)(=O)Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(C3CC3)cn12 |
Homo sapiens |
CHEMBL4256592 |
cell-based format |
CHEMBL4854735 |
OBDepict
F
N
HN
S
O
O
F
F
O
H
H
N
F
F
F
F
F
|
IC50 |
= |
230.0 |
nM |
581.49 |
O=S(=O)(Nc1cccc(F)n1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccc(F)c(F)c2)c(F)c1 |
Homo sapiens |
CHEMBL4813116 |
single protein format |
CHEMBL3657855 |
OBDepict
F
O
N
H
O
S
N
O
O
|
IC50 |
= |
480.0 |
nM |
462.59 |
O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |
Homo sapiens |
CHEMBL4321996 |
cell-based format |
CHEMBL698 |
OBDepict
H
3
C
NH
O
O
N
CH
3
H
3
C
|
IC50 |
= |
520.0 |
nM |
264.37 |
CCCCNc1ccc(C(=O)OCCN(C)C)cc1 |
Homo sapiens |
CHEMBL3800779 |
cell-based format |
CHEMBL3979498 |
OBDepict
H
3
C
O
N
O
F
F
F
S
NH
O
O
N
N
|
IC50 |
= |
650.0 |
nM |
552.53 |
COc1cc(-c2cccc(C(F)(F)F)c2)ccc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ncccn3)ccc21 |
Homo sapiens |
CHEMBL4012362 |
cell-based format |
CHEMBL512079 |
OBDepict
NH
2
N
N
O
N
N
|
IC50 |
= |
660.0 |
nM |
305.34 |
NCc1noc(-c2nn(Cc3ccccc3)c3ccccc23)n1 |
Homo sapiens |
CHEMBL971451 |
cell-based format |