molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3657855 |
|
IC50 |
= |
0.4 |
nM |
462.59 |
O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |
Homo sapiens |
CHEMBL4321987 |
cell-based format |
CHEMBL3662190 |
OBDepict
O
N
H
S
F
O
O
O
H
3
C
|
IC50 |
= |
0.6 |
nM |
435.56 |
CC1(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CCC2(CC1)CC2 |
Homo sapiens |
CHEMBL4321987 |
cell-based format |
CHEMBL3945969 |
OBDepict
CH
3
O
N
F
O
F
Cl
S
HN
O
O
N
O
|
IC50 |
= |
3.2 |
nM |
543.94 |
COc1cc(-c2cc(F)cc(Cl)c2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21 |
Homo sapiens |
CHEMBL4321987 |
cell-based format |
CHEMBL2325014 |
OBDepict
Cl
O
N
NH
2
N
H
Cl
F
S
NH
O
O
N
S
|
IC50 |
= |
11.0 |
nM |
500.36 |
Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl |
Homo sapiens |
CHEMBL4321987 |
cell-based format |
CHEMBL4547737 |
OBDepict
HN
N
H
N
H
H
N
H
NH
HO
HO
O
NH
O
CH
3
|
IC50 |
= |
19.0 |
nM |
298.3 |
CC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23NC(=N)N[C@@H]13 |
Homo sapiens |
CHEMBL4321987 |
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 |
= |
36.0 |
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 |
CHEMBL4321987 |
cell-based format |
CHEMBL4458532 |
OBDepict
HN
N
H
HN
N
H
HO
HO
H
N
H
NH
H
N
H
N
O
O
O
H
3
C
CH
3
|
IC50 |
= |
44.0 |
nM |
524.58 |
CC1(C)CCc2c(C(=O)N[C@H]3CN4C(=N)N[C@@H](CN5C(=O)CCC5=O)[C@@H]5NC(=N)N[C@@]54C3(O)O)cccc21 |
Homo sapiens |
CHEMBL4321987 |
cell-based format |
CHEMBL3707218 |
OBDepict
O
N
O
O
O
O
F
F
F
|
IC50 |
= |
54.0 |
nM |
429.35 |
O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2[C@]12COc1cc3c(cc12)OCO3 |
Homo sapiens |
CHEMBL4321987 |
cell-based format |
CHEMBL501134 |
OBDepict
HN
N
H
HN
H
N
H
NH
OH
HO
O
NH
O
H
2
N
|
IC50 |
= |
410.0 |
nM |
299.29 |
N=C1N[C@H]2[C@H](COC(N)=O)NC(=N)N3CCC(O)(O)[C@]23N1 |
Homo sapiens |
CHEMBL4321987 |
cell-based format |