molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4445544 |
|
IC50 |
= |
21.0 |
nM |
386.76 |
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1OC(F)(F)F |
Homo sapiens |
CHEMBL4310424 |
cell-based format |
CHEMBL4086165 |
OBDepict
CH
3
O
N
H
O
OH
+
N
O
_
O
|
IC50 |
= |
80.0 |
nM |
338.32 |
COc1cc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc2ccccc12 |
Homo sapiens |
CHEMBL4015873 |
cell-based format |
CHEMBL4074929 |
OBDepict
O
HN
S
NH
H
3
C
O
Br
F
F
|
IC50 |
= |
83.0 |
nM |
457.34 |
Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Br)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4080525 |
OBDepict
H
3
C
O
N
HN
O
O
H
3
C
Cl
|
IC50 |
= |
110.0 |
nM |
332.79 |
COc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1C |
Homo sapiens |
CHEMBL4015868 |
cell-based format |
CHEMBL4104024 |
OBDepict
F
N
H
O
S
NH
O
I
F
F
|
IC50 |
= |
150.0 |
nM |
508.3 |
O=C(Nc1ccc(F)cc1)c1c(NC(=O)C(F)(F)I)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4069503 |
OBDepict
O
NH
F
F
F
S
N
H
O
H
3
C
|
IC50 |
= |
170.0 |
nM |
382.41 |
Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4071143 |
OBDepict
O
HN
S
NH
H
3
C
O
Cl
F
F
|
IC50 |
= |
180.0 |
nM |
412.89 |
Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Cl)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4448175 |
OBDepict
O
NH
O
N
CH
3
Cl
F
F
F
|
IC50 |
= |
210.0 |
nM |
370.76 |
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1C(F)(F)F |
Homo sapiens |
CHEMBL4310424 |
cell-based format |
CHEMBL4090522 |
OBDepict
CH
3
N
H
O
NH
S
O
F
F
F
|
IC50 |
= |
220.0 |
nM |
382.41 |
Cc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3c2CCCC3)cc1 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4074900 |
OBDepict
O
HN
S
NH
O
Br
F
F
|
IC50 |
= |
230.0 |
nM |
443.31 |
O=C(Nc1ccccc1)c1c(NC(=O)C(F)(F)Br)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4095338 |
OBDepict
O
HN
S
NH
O
I
F
F
|
IC50 |
= |
230.0 |
nM |
490.31 |
O=C(Nc1ccccc1)c1c(NC(=O)C(F)(F)I)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4515829 |
OBDepict
O
NH
O
N
CH
3
CH
3
O
Cl
F
F
F
|
IC50 |
= |
300.0 |
nM |
400.78 |
C/C(=NNC(=O)COc1ccc(Cl)cc1C)c1ccccc1OC(F)(F)F |
Homo sapiens |
CHEMBL4310424 |
cell-based format |
CHEMBL3134585 |
OBDepict
O
HN
S
NH
O
F
F
F
|
IC50 |
= |
300.0 |
nM |
382.41 |
O=C(Nc1ccccc1)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4099581 |
OBDepict
F
N
H
O
S
NH
O
F
F
F
|
IC50 |
= |
320.0 |
nM |
400.4 |
O=C(Nc1ccc(F)cc1)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4091961 |
OBDepict
O
HN
S
NH
O
O
F
F
F
F
F
F
|
IC50 |
= |
370.0 |
nM |
438.35 |
O=C(Nc1ccccc1OC(F)(F)F)c1c(NC(=O)C(F)(F)F)sc2c1CCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4082703 |
OBDepict
O
HN
F
F
F
S
N
H
O
|
IC50 |
= |
370.0 |
nM |
368.38 |
O=C(Nc1ccccc1)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4095365 |
OBDepict
O
HN
S
NH
H
3
C
O
F
F
F
F
F
F
F
|
IC50 |
= |
380.0 |
nM |
496.45 |
Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL1444023 |
OBDepict
O
HN
S
NH
H
3
C
O
F
F
F
|
IC50 |
= |
420.0 |
nM |
396.43 |
Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4087641 |
OBDepict
F
N
H
O
S
NH
O
Br
F
F
|
IC50 |
= |
450.0 |
nM |
461.3 |
O=C(Nc1ccc(F)cc1)c1c(NC(=O)C(F)(F)Br)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4080209 |
OBDepict
F
N
H
O
NH
S
O
F
F
F
|
IC50 |
= |
490.0 |
nM |
386.37 |
O=C(Nc1ccc(F)cc1)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4085154 |
OBDepict
O
HN
S
NH
H
3
C
O
I
F
F
|
IC50 |
= |
600.0 |
nM |
504.34 |
Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)I)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4083154 |
OBDepict
O
HN
S
NH
Cl
O
F
F
F
|
IC50 |
= |
660.0 |
nM |
416.85 |
O=C(Nc1ccccc1Cl)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4096263 |
OBDepict
O
HN
S
NH
O
O
Br
F
F
F
F
F
|
IC50 |
= |
700.0 |
nM |
499.26 |
O=C(Nc1ccccc1OC(F)(F)F)c1c(NC(=O)C(F)(F)Br)sc2c1CCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4066286 |
OBDepict
F
N
H
O
S
NH
O
Cl
F
F
|
IC50 |
= |
840.0 |
nM |
416.85 |
O=C(Nc1ccc(F)cc1)c1c(NC(=O)C(F)(F)Cl)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL4577443 |
OBDepict
O
NH
O
N
CH
3
F
Cl
|
IC50 |
= |
890.0 |
nM |
320.75 |
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1F |
Homo sapiens |
CHEMBL4310424 |
cell-based format |
CHEMBL4103095 |
OBDepict
O
HN
S
NH
O
Cl
F
F
|
IC50 |
= |
925.0 |
nM |
398.86 |
O=C(Nc1ccccc1)c1c(NC(=O)C(F)(F)Cl)sc2c1CCCCC2 |
Homo sapiens |
CHEMBL4015867 |
cell-based format |
CHEMBL1299863 |
OBDepict
CH
3
O
N
S
N
H
O
S
N
N
H
3
C
HO
H
3
C
|
IC50 |
= |
1000.0 |
nM |
416.53 |
CCc1c(C)nc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nc1O |
Homo sapiens |
CHEMBL4015868 |
cell-based format |