molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4568087 |
|
IC50 |
= |
2.9 |
nM |
421.53 |
Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4479717 |
assay format |
CHEMBL566515 |
OBDepict
H
3
C
O
N
N
N
H
3
C
N
OH
H
3
C
O
N
O
H
|
IC50 |
= |
4.5 |
nM |
417.43 |
COc1ccccc1-n1c(-c2cc(O)ccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 |
Homo sapiens |
CHEMBL1046776 |
single protein format |
CHEMBL4569508 |
OBDepict
O
N
H
S
F
F
F
N
N
N
O
N
|
IC50 |
= |
21.0 |
nM |
529.59 |
O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1 |
Homo sapiens |
CHEMBL4479717 |
assay format |
CHEMBL4550702 |
OBDepict
CH
3
N
N
N
N
N
S
NH
O
F
F
F
|
IC50 |
= |
29.0 |
nM |
406.39 |
Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4479717 |
assay format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
137.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328403 |
single protein format |
CHEMBL4281823 |
OBDepict
CH
3
N
N
N
NH
2
N
O
O
F
F
F
|
IC50 |
= |
233.0 |
nM |
481.48 |
CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4261409 |
single protein format |
CHEMBL1916891 |
OBDepict
CH
3
N
H
3
C
N
O
CH
3
F
N
N
N
N
H
CH
3
|
IC50 |
= |
434.0 |
nM |
432.5 |
Cc1ccccc1Nc1nc2cc(F)c(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12 |
Homo sapiens |
CHEMBL1919258 |
single protein format |
CHEMBL103667 |
OBDepict
O
HN
N
H
N
N
CH
3
CH
3
CH
3
O
H
3
C
N
O
|
IC50 |
< |
1000.0 |
nM |
527.67 |
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 |
Homo sapiens |
CHEMBL4602918 |
single protein format |