molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4170392 |
|
Ki |
= |
25.0 |
nM |
296.37 |
COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4160309 |
OBDepict
CH
3
O
OH
O
Br
|
Ki |
= |
44.0 |
nM |
333.18 |
COc1cc(/C=C/C(=O)c2ccc(Br)cc2)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4160346 |
OBDepict
CH
3
O
OH
O
Cl
Cl
|
Ki |
= |
48.0 |
nM |
323.17 |
COc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL126657 |
OBDepict
CH
3
O
OH
O
Cl
|
Ki |
= |
53.0 |
nM |
288.73 |
COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4167574 |
OBDepict
CH
3
O
OH
O
Cl
Cl
|
Ki |
= |
53.0 |
nM |
323.17 |
COc1cc(/C=C/C(=O)c2cc(Cl)ccc2Cl)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4175451 |
OBDepict
CH
3
O
OH
O
Cl
Cl
|
Ki |
= |
71.0 |
nM |
323.17 |
COc1cc(/C=C/C(=O)c2c(Cl)cccc2Cl)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4166275 |
OBDepict
CH
3
O
OH
O
Cl
|
Ki |
= |
107.0 |
nM |
288.73 |
COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4168220 |
OBDepict
CH
3
O
OH
O
I
|
Ki |
= |
107.0 |
nM |
380.18 |
COc1cc(/C=C/C(=O)c2ccc(I)cc2)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4168923 |
OBDepict
CH
3
O
OH
O
F
Cl
|
Ki |
= |
107.0 |
nM |
306.72 |
COc1cc(/C=C/C(=O)c2ccc(Cl)cc2F)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4163005 |
OBDepict
CH
3
O
OH
O
Cl
|
Ki |
= |
107.0 |
nM |
300.74 |
COc1cc(/C=C2Cc3cc(Cl)ccc3C2=O)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4169628 |
OBDepict
CH
3
O
OH
N
H
N
Cl
|
Ki |
= |
107.0 |
nM |
302.76 |
COc1cc(C2CC(c3ccc(Cl)cc3)=NN2)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4160583 |
OBDepict
CH
3
O
OH
O
O
Cl
|
Ki |
= |
203.0 |
nM |
302.71 |
COc1cc(/C=C2Oc3cc(Cl)ccc3C2=O)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4166454 |
OBDepict
H
3
C
O
OH
N
H
N
O
Cl
|
Ki |
= |
267.0 |
nM |
328.76 |
COc1cc(-c2cc(-c3ccc(Cl)cc3)nc(=O)[nH]2)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4173832 |
OBDepict
CH
3
O
OH
O
H
3
C
|
Ki |
= |
285.0 |
nM |
268.31 |
COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL127593 |
OBDepict
Cl
O
OH
OH
|
Ki |
= |
350.0 |
nM |
274.7 |
O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4175213 |
OBDepict
NH
2
O
OH
O
Cl
ClH
|
Ki |
= |
357.0 |
nM |
354.23 |
Cl.NCCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4170951 |
OBDepict
CH
3
O
OH
O
Cl
Cl
|
Ki |
= |
357.0 |
nM |
323.17 |
COc1cc(/C=C/C(=O)c2cccc(Cl)c2Cl)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4162605 |
OBDepict
CH
3
O
OH
O
O
Cl
|
Ki |
= |
357.0 |
nM |
316.74 |
COc1cc(/C=C2COc3cc(Cl)ccc3C2=O)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4169688 |
OBDepict
CH
3
O
OH
O
F
|
Ki |
= |
430.0 |
nM |
272.27 |
COc1cc(/C=C/C(=O)c2ccc(F)cc2)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4159394 |
OBDepict
NH
2
O
O
O
OH
O
Cl
ClH
|
Ki |
= |
475.0 |
nM |
442.34 |
Cl.NCCOCCOCCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4175047 |
OBDepict
H
2
N
O
O
HO
O
Cl
ClH
|
Ki |
= |
496.0 |
nM |
410.3 |
Cl.NCCOCCOc1cc(/C=C2Cc3cc(Cl)ccc3C2=O)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL226710 |
OBDepict
HO
O
Cl
|
Ki |
= |
625.0 |
nM |
258.7 |
O=C(/C=C/c1ccc(O)cc1)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL4151994 |
cell-based format |
CHEMBL4164132 |
OBDepict
CH
3
O
OH
O
Cl
Cl
|
Ki |
= |
714.0 |
nM |
323.17 |
COc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)ccc1O |
Homo sapiens |
CHEMBL4151994 |
cell-based format |