molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
0.052 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328615 |
single protein format |
CHEMBL4546504 |
OBDepict
CH
3
N
CH
3
O
O
N
H
CH
3
H
N
N
F
F
F
O
N
H
H
Cl
H
3
C
HO
|
IC50 |
= |
0.217 |
nM |
555.99 |
C[C@@H](Oc1cc(C(=O)N(C)C)ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(F)(F)F |
Homo sapiens |
CHEMBL4349109 |
assay format |
CHEMBL4568087 |
OBDepict
H
3
C
N
N
N
N
N
S
N
H
O
H
H
H
2
N
|
IC50 |
< |
1.0 |
nM |
421.53 |
Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4479782 |
assay format |
CHEMBL4569508 |
OBDepict
O
N
H
S
F
F
F
N
N
N
O
N
|
IC50 |
< |
10.0 |
nM |
529.59 |
O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1 |
Homo sapiens |
CHEMBL4479782 |
assay format |
CHEMBL4552628 |
OBDepict
Cl
N
N
N
H
3
C
S
N
H
O
H
H
H
2
N
F
F
|
IC50 |
< |
10.0 |
nM |
425.89 |
Cc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnn2cc(Cl)cnc12 |
Homo sapiens |
CHEMBL4479782 |
assay format |
CHEMBL4550702 |
OBDepict
CH
3
N
N
N
N
N
S
NH
O
F
F
F
|
IC50 |
= |
20.0 |
nM |
406.39 |
Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4479782 |
assay format |
CHEMBL2403108 |
OBDepict
CH
3
O
H
3
C
NH
H
3
C
N
N
N
H
N
H
Cl
S
O
O
H
3
C
H
3
C
|
IC50 |
= |
23.0 |
nM |
558.15 |
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1 |
Homo sapiens |
CHEMBL2406321 |
single protein format |