molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3133031 |
|
IC50 |
= |
19.6 |
nM |
417.66 |
CCCCCCCCCC[C@@H]1C(=O)O[C@H]1CCCCS(=O)(=O)CCCN(C)C |
Homo sapiens |
CHEMBL3135194 |
single protein format |
CHEMBL1903566 |
OBDepict
O
N
N
N
N
HO
H
3
C
H
3
C
CH
3
|
IC50 |
= |
30.0 |
nM |
418.54 |
CC(C)(C)C1CCN(C(=O)n2ncc(C(O)(c3ccccc3)c3ccccc3)n2)CC1 |
Homo sapiens |
CHEMBL3135191 |
single protein format |
CHEMBL1673415 |
OBDepict
CH
3
H
O
O
H
O
O
H
3
C
H
3
C
|
Ki |
= |
34.0 |
nM |
376.54 |
CCCCCCCCCC[C@@H]1C(=O)O[C@H]1CCc1ccc(OC)c(OC)c1 |
Homo sapiens |
CHEMBL3135194 |
single protein format |
CHEMBL1673415 |
OBDepict
CH
3
H
O
O
H
O
O
H
3
C
H
3
C
|
IC50 |
= |
37.7 |
nM |
376.54 |
CCCCCCCCCC[C@@H]1C(=O)O[C@H]1CCc1ccc(OC)c(OC)c1 |
Homo sapiens |
CHEMBL3135194 |
single protein format |
CHEMBL3133033 |
OBDepict
O
N
N
N
N
HO
|
IC50 |
= |
200.0 |
nM |
362.43 |
O=C(N1CCCCC1)n1ncc(C(O)(c2ccccc2)c2ccccc2)n1 |
Homo sapiens |
CHEMBL3135191 |
single protein format |
CHEMBL1509398 |
OBDepict
CH
3
O
N
N
O
S
S
O
O
|
Ki |
= |
230.0 |
nM |
454.57 |
COc1ccc(N2CCN(C(=O)c3cc4c(s3)-c3ccccc3S(=O)(=O)C4)CC2)cc1 |
Homo sapiens |
CHEMBL3135187 |
single protein format |
CHEMBL3133032 |
OBDepict
H
3
C
N
CH
3
O
B
O
B
O
N
CH
3
CH
3
|
Ki |
= |
730.0 |
nM |
548.35 |
CN(C)CCOB(c1ccccc1)c1ccc(COCc2ccc(B(OCCN(C)C)c3ccccc3)cc2)cc1 |
Homo sapiens |
CHEMBL3135192 |
single protein format |