molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4091579 |
|
IC50 |
= |
24.0 |
nM |
460.55 |
CC(C)C[C@H]1C[C@@H](C)[C@]2(C(=O)Nc3ccc(F)cc32)N1C(=O)c1cn(Cc2ccccc2)cn1 |
Homo sapiens |
CHEMBL4044703 |
cell-based format |
CHEMBL4070683 |
OBDepict
CH
3
H
3
C
H
N
H
CH
3
O
N
O
N
H
N
H
3
C
F
|
IC50 |
= |
42.0 |
nM |
384.45 |
CC(C)C[C@H]1C[C@@H](C)[C@]2(C(=O)Nc3ccc(F)cc32)N1C(=O)c1cn(C)cn1 |
Homo sapiens |
CHEMBL4044703 |
cell-based format |
CHEMBL4104317 |
OBDepict
CH
3
O
O
H
N
H
O
HN
O
CH
3
CH
3
F
N
N
|
IC50 |
= |
44.0 |
nM |
504.56 |
COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2cn(Cc3ccccc3)cn2)[C@@]12C(=O)Nc1ccc(F)cc12 |
Homo sapiens |
CHEMBL4044703 |
cell-based format |
CHEMBL4084949 |
OBDepict
O
N
H
N
O
N
O
S
N
|
IC50 |
= |
79.0 |
nM |
444.52 |
O=C1Nc2cc(=O)n(Cc3ccccc3)cc2CN1c1cccc(OCc2cncs2)c1 |
Homo sapiens |
CHEMBL4017288 |
cell-based format |
CHEMBL4100976 |
OBDepict
CH
3
O
O
H
N
H
O
N
H
O
H
3
C
H
3
C
F
N
N
H
3
C
|
IC50 |
= |
110.0 |
nM |
428.46 |
COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2cn(C)cn2)[C@@]12C(=O)Nc1ccc(F)cc12 |
Homo sapiens |
CHEMBL4044703 |
cell-based format |
CHEMBL4097764 |
OBDepict
O
N
H
N
O
N
O
N
|
IC50 |
= |
180.0 |
nM |
438.49 |
O=C1Nc2cc(=O)n(Cc3ccccc3)cc2CN1c1cccc(OCc2cccnc2)c1 |
Homo sapiens |
CHEMBL4017288 |
cell-based format |
CHEMBL4088975 |
OBDepict
CH
3
H
3
C
H
N
H
CH
3
O
N
O
N
H
|
IC50 |
= |
360.0 |
nM |
363.46 |
CC(C)C[C@H]1C[C@@H](C)[C@]2(C(=O)Nc3ccccc32)N1C(=O)c1ccccn1 |
Homo sapiens |
CHEMBL4044703 |
cell-based format |
CHEMBL4080080 |
OBDepict
CH
3
O
O
H
N
H
O
N
H
O
H
3
C
H
3
C
F
N
N
H
|
IC50 |
= |
390.0 |
nM |
414.44 |
COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2c[nH]cn2)[C@@]12C(=O)Nc1ccc(F)cc12 |
Homo sapiens |
CHEMBL4044703 |
cell-based format |
CHEMBL4065018 |
OBDepict
O
N
H
N
O
N
O
|
IC50 |
= |
790.0 |
nM |
437.5 |
O=C1Nc2cc(=O)n(Cc3ccccc3)cc2CN1c1cccc(OCc2ccccc2)c1 |
Homo sapiens |
CHEMBL4017288 |
cell-based format |
CHEMBL4076145 |
OBDepict
H
3
C
O
O
H
N
H
O
NH
O
CH
3
H
3
C
F
N
|
IC50 |
= |
910.0 |
nM |
425.46 |
COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccc(F)cc12 |
Homo sapiens |
CHEMBL4044703 |
cell-based format |