molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4868141 |
|
IC50 |
= |
-25400.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804497 |
cell-based format |
CHEMBL4855730 |
OBDepict
F
NH
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-11500.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804497 |
cell-based format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
24.5 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328610 |
single protein format |
CHEMBL4468747 |
OBDepict
N
N
H
O
H
3
C
H
3
C
CH
3
S
O
O
F
|
IC50 |
= |
36.0 |
nM |
472.54 |
CCc1cc2c(cc1-c1cccc(S(=O)(=O)F)c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O |
Homo sapiens |
CHEMBL4351071 |
single protein format |
CHEMBL426445 |
OBDepict
OH
O
N
N
S
S
|
IC50 |
= |
40.0 |
nM |
388.47 |
O=C(O)c1ccc2cc3nc(-c4cccs4)c(-c4cccs4)nc3cc2c1 |
Homo sapiens |
CHEMBL3365346 |
single protein format |
CHEMBL4568087 |
OBDepict
H
3
C
N
N
N
N
N
S
N
H
O
H
H
H
2
N
|
IC50 |
= |
140.0 |
nM |
421.53 |
Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4479781 |
assay format |
CHEMBL1738797 |
OBDepict
CH
3
N
O
CH
3
H
3
C
N
N
H
O
N
|
IC50 |
= |
195.0 |
nM |
482.63 |
CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O |
Homo sapiens |
CHEMBL4351071 |
single protein format |