molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4878260 |
|
IC50 |
= |
13.0 |
nM |
366.38 |
CCOC(=O)Cn1nc(-c2ccc(C(F)(F)F)cc2)c2c1CCCCC2 |
Homo sapiens |
CHEMBL4835353 |
cell-based format |
CHEMBL4161122 |
OBDepict
H
3
C
N
CH
3
NH
O
N
H
O
OH
2
ClH
|
IC50 |
= |
25.0 |
nM |
349.82 |
CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1.Cl.O |
Homo sapiens |
CHEMBL4134894 |
cell-based format |
CHEMBL487005 |
OBDepict
O
H
O
CH
3
H
H
O
H
3
C
H
O
CH
3
CH
3
H
CH
3
H
3
C
|
IC50 |
= |
210.0 |
nM |
428.61 |
CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C(C=O)[C@H](C=O)[C@@]12C |
Homo sapiens |
CHEMBL4134886 |
cell-based format |
CHEMBL173443 |
OBDepict
CH
3
N
H
O
O
HO
|
IC50 |
= |
320.0 |
nM |
337.42 |
CCCCCc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1 |
Homo sapiens |
CHEMBL4154412 |
cell-based format |
CHEMBL4863360 |
OBDepict
O
NH
O
OH
+
N
O
_
O
|
IC50 |
= |
398.0 |
nM |
388.38 |
O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)cc1)Nc1ccccc1C(=O)O |
Homo sapiens |
CHEMBL4835353 |
cell-based format |
CHEMBL4864346 |
OBDepict
O
NH
O
OH
Br
|
IC50 |
= |
410.0 |
nM |
422.28 |
O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccc(Br)cc1C(=O)O |
Homo sapiens |
CHEMBL4835353 |
cell-based format |
CHEMBL4856222 |
OBDepict
CH
3
N
H
O
CH
3
O
HO
|
IC50 |
= |
467.0 |
nM |
351.45 |
CCCCCc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C(=O)O)cc1 |
Homo sapiens |
CHEMBL4835353 |
cell-based format |
CHEMBL127336 |
OBDepict
O
N
H
O
N
|
IC50 |
= |
600.0 |
nM |
302.42 |
O=C1NCCc2c(OCCCCN3CCCCC3)cccc21 |
Homo sapiens |
CHEMBL4134894 |
cell-based format |
CHEMBL4863549 |
OBDepict
O
HN
O
HO
F
F
F
|
IC50 |
= |
788.0 |
nM |
411.38 |
O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1C(=O)O |
Homo sapiens |
CHEMBL4835353 |
cell-based format |
CHEMBL4849043 |
OBDepict
O
NH
O
OH
F
|
IC50 |
= |
830.0 |
nM |
361.37 |
O=C(/C=C/c1ccc(-c2cccc(F)c2)cc1)Nc1ccccc1C(=O)O |
Homo sapiens |
CHEMBL4835353 |
cell-based format |
CHEMBL4856093 |
OBDepict
CH
3
N
H
O
O
HO
H
3
C
|
IC50 |
= |
987.0 |
nM |
351.45 |
CCCCCc1ccc(/C=C/C(=O)Nc2ccc(C)cc2C(=O)O)cc1 |
Homo sapiens |
CHEMBL4835353 |
cell-based format |
CHEMBL169233 |
OBDepict
NH
2
O
B
|
IC50 |
= |
1000.0 |
nM |
225.1 |
NCCOB(c1ccccc1)c1ccccc1 |
Homo sapiens |
CHEMBL3111091 |
cell-based format |