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BDBM50155468 2-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one::2-[1-(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one::CHEMBL363682

SMILES: COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1Br

InChI Key: InChIKey=ZHOQTMYSBFYMPC-GXDHUFHOSA-N

Data: 3 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50155468   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155468
PNG
(2-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-6-methoxy-...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1Br
Show InChI InChI=1S/C18H15BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-11H,6-7H2,1H3/b14-10+
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MMDB

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PC cid
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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Bioorg Med Chem Lett 14: 5651-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.040
BindingDB Entry DOI: 10.7270/Q2GX4B2T
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50155468
PNG
(2-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-6-methoxy-...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1Br
Show InChI InChI=1S/C18H15BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-11H,6-7H2,1H3/b14-10+
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n/an/a 1.22E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Sterol 26-hydroxylase, mitochondrial


(Homo sapiens (Human))
BDBM50155468
PNG
(2-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-6-methoxy-...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1Br
Show InChI InChI=1S/C18H15BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-11H,6-7H2,1H3/b14-10+
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n/an/a 4.33E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP27A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair