molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2324344 |
|
IC50 |
= |
35.0 |
nM |
468.6 |
CCCC(=O)C1CCN(c2ncnc3c2CN(C(=O)c2ccc(-c4ccccc4)cc2)CC3)CC1 |
Homo sapiens |
CHEMBL2327430 |
single protein format |
CHEMBL3183497 |
OBDepict
H
3
C
O
N
H
O
NH
O
O
H
3
C
|
IC50 |
= |
66.0 |
nM |
390.44 |
CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL3182699 |
OBDepict
CH
3
O
H
3
C
N
H
O
N
H
O
O
F
F
F
|
IC50 |
= |
110.0 |
nM |
458.44 |
CC(C)Oc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL3185736 |
OBDepict
CH
3
N
H
O
HN
O
CH
3
|
IC50 |
= |
150.0 |
nM |
344.41 |
Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)c2)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL3182449 |
OBDepict
CH
3
O
N
H
O
HN
O
F
F
F
|
IC50 |
= |
300.0 |
nM |
428.41 |
CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL148342 |
OBDepict
CH
3
O
N
H
O
NH
O
F
F
|
IC50 |
= |
318.0 |
nM |
500.55 |
COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCc2ccc(F)cc2F)cc1 |
Homo sapiens |
CHEMBL4322157 |
cell-based format |
CHEMBL3182091 |
OBDepict
CH
3
N
H
O
N
H
O
S
|
IC50 |
= |
330.0 |
nM |
336.42 |
Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL1081188 |
OBDepict
CH
3
O
N
H
O
NH
O
H
3
C
|
IC50 |
= |
390.0 |
nM |
360.41 |
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL3188749 |
OBDepict
CH
3
O
N
H
O
NH
O
O
F
F
F
|
IC50 |
= |
410.0 |
nM |
430.38 |
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL3187482 |
OBDepict
H
3
C
O
N
H
O
NH
O
H
3
C
|
IC50 |
= |
410.0 |
nM |
374.44 |
CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL1557966 |
OBDepict
SH
N
N
N
CH
3
O
|
IC50 |
= |
413.0 |
nM |
289.4 |
CC(C1CC2CCC1C2)n1c(S)nnc1-c1ccco1 |
Homo sapiens |
CHEMBL4322171 |
cell-based format |
CHEMBL1086899 |
OBDepict
CH
3
N
H
O
HN
O
Cl
|
IC50 |
= |
480.0 |
nM |
364.83 |
Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL1310568 |
OBDepict
CH
3
N
H
O
HN
O
|
IC50 |
= |
500.0 |
nM |
330.39 |
Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL3182551 |
OBDepict
CH
3
N
H
O
HN
O
F
|
IC50 |
= |
600.0 |
nM |
348.38 |
Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(F)c3)c2)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL3182359 |
OBDepict
CH
3
O
N
H
O
NH
O
O
H
3
C
|
IC50 |
= |
710.0 |
nM |
376.41 |
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1 |
Homo sapiens |
CHEMBL3367869 |
cell-based format |
CHEMBL3186000 |
OBDepict
H
3
C
CH
3
N
H
O
HN
O
O
F
F
F
|
IC50 |
= |
730.0 |
nM |
442.44 |
CC(C)c1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL3182725 |
OBDepict
CH
3
N
H
O
N
H
O
O
F
F
F
|
IC50 |
= |
750.0 |
nM |
414.38 |
Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3OC(F)(F)F)c2)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL4592278 |
OBDepict
CH
3
S
NH
O
O
N
H
O
CH
3
N
O
CH
3
|
IC50 |
= |
950.0 |
nM |
405.52 |
CCCCS(=O)(=O)Nc1ccccc1C(=O)NC(CC)c1ccc(OC)nc1 |
Homo sapiens |
CHEMBL4322157 |
cell-based format |
CHEMBL3181939 |
OBDepict
CH
3
N
H
O
HN
O
CH
3
|
IC50 |
= |
960.0 |
nM |
344.41 |
Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL3182777 |
OBDepict
O
N
H
N
H
O
S
|
IC50 |
= |
970.0 |
nM |
322.39 |
O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccccc1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |
CHEMBL3187764 |
OBDepict
H
3
C
O
N
H
O
HN
O
CH
3
H
3
C
|
IC50 |
= |
1000.0 |
nM |
388.47 |
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C(C)C)c1 |
Homo sapiens |
CHEMBL3367861 |
cell-based format |