molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4063743 |
|
IC50 |
< |
1000.0 |
nM |
459.04 |
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(Br)o1 |
Homo sapiens |
CHEMBL3991951 |
single protein format |
CHEMBL4091549 |
OBDepict
N
N
H
O
N
H
O
N
O
N
H
I
|
IC50 |
< |
1000.0 |
nM |
535.3 |
N#Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C3C(=O)Nc4ccc(I)cc43)cc2)cc1 |
Homo sapiens |
CHEMBL3991951 |
single protein format |
CHEMBL4067333 |
OBDepict
CH
3
N
O
OH
O
OH
F
F
F
|
IC50 |
< |
1000.0 |
nM |
577.64 |
CCCCCCCCC#Cc1ccc(CN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c2ccc(O)c(C(=O)O)c2)cc1 |
Homo sapiens |
CHEMBL3991951 |
single protein format |
CHEMBL4063482 |
OBDepict
CH
3
N
OH
O
OH
H
3
C
|
IC50 |
< |
1000.0 |
nM |
483.65 |
CCCCCCN(Cc1ccc(C#Cc2ccc(CCCC)cc2)cc1)c1ccc(O)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL3991951 |
single protein format |
CHEMBL4083629 |
OBDepict
CH
3
N
O
O
HO
F
F
F
|
IC50 |
< |
1000.0 |
nM |
521.58 |
CCCCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C(=O)O)cc2)cc1 |
Homo sapiens |
CHEMBL3991951 |
single protein format |
CHEMBL4103320 |
OBDepict
CH
3
N
O
OH
O
OH
H
3
C
|
IC50 |
< |
1000.0 |
nM |
511.66 |
CCCCCCN(Cc1ccc(C#Cc2ccc(CCCC)cc2)cc1)C(=O)c1ccc(O)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL3991951 |
single protein format |