molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4868141 |
|
IC50 |
= |
-64000.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804462 |
cell-based format |
CHEMBL4855730 |
OBDepict
F
NH
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-45400.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804462 |
cell-based format |
CHEMBL4859660 |
OBDepict
NH
2
N
F
+
N
O
NH
O
_
O
|
IC50 |
= |
-30700.0 |
nM |
378.36 |
Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804462 |
cell-based format |
CHEMBL4855542 |
OBDepict
NH
2
N
S
N
O
NH
|
IC50 |
= |
-27500.0 |
nM |
372.45 |
Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804462 |
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 |
= |
0.49 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4145890 |
single protein format |
CHEMBL2151321 |
OBDepict
CH
3
O
H
3
C
N
H
N
N
N
N
NH
CH
3
H
N
F
|
IC50 |
= |
6.1 |
nM |
381.42 |
CC(C)Oc1cc(-n2cnc3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)n[nH]1 |
Homo sapiens |
CHEMBL2154707 |
single protein format |
CHEMBL3979920 |
OBDepict
H
3
C
N
N
N
N
H
O
NH
F
H
H
NH
2
|
IC50 |
= |
226.0 |
nM |
344.39 |
Cn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)cn1 |
Homo sapiens |
CHEMBL3869734 |
assay format |
CHEMBL3288854 |
OBDepict
H
3
C
N
N
N
H
O
H
3
C
CH
3
N
H
O
HN
F
|
Ki |
= |
840.0 |
nM |
425.51 |
Cc1[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCN(C)CC1 |
Homo sapiens |
CHEMBL3296773 |
single protein format |