molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4868141 |
|
IC50 |
= |
-15000.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804415 |
cell-based format |
CHEMBL4855730 |
OBDepict
F
NH
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-4000.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804415 |
cell-based format |
CHEMBL2381342 |
OBDepict
CH
3
N
CH
3
N
H
O
N
H
N
O
CH
3
H
3
C
|
IC50 |
= |
1.5 |
nM |
440.55 |
CN(C)Cc1cccc(N/C(=C2C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1 |
Homo sapiens |
CHEMBL4365541 |
assay format |
CHEMBL4303171 |
OBDepict
CH
3
N
CH
3
N
H
O
N
H
O
H
2
N
|
IC50 |
= |
4.3 |
nM |
412.49 |
CN(C)Cc1cccc(N/C(=C2C(=O)Nc3cc(C(N)=O)ccc32)c2ccccc2)c1 |
Homo sapiens |
CHEMBL4725971 |
single protein format |
CHEMBL4635883 |
OBDepict
NH
2
O
N
HN
N
N
N
H
NH
2
CH
3
CH
3
H
3
C
CH
3
|
IC50 |
= |
25.0 |
nM |
397.53 |
CC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)C)n1 |
Homo sapiens |
CHEMBL4629880 |
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 |
= |
40.4 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328490 |
single protein format |
CHEMBL1835063 |
OBDepict
NH
2
O
N
NH
N
N
H
H
2
N
F
F
F
|
IC50 |
= |
240.0 |
nM |
380.37 |
NC(=O)c1cnc(N2CCC[C@H](N)C2)nc1Nc1cccc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL4629880 |
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 |
= |
800.0 |
nM |
424.52 |
CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1 |
Homo sapiens |
CHEMBL3578903 |
cell-based format |
CHEMBL2348417 |
OBDepict
OH
N
H
O
HN
N
N
H
N
Cl
O
S
|
IC50 |
= |
870.0 |
nM |
508.0 |
O=C(NCCO)C1=Cc2c(ncnc2Nc2ccc(Oc3cccc4sccc34)c(Cl)c2)NCC1 |
Homo sapiens |
CHEMBL2351309 |
assay format |