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BDBM50158457 (4-hydroxyphenyl)(2-methylbenzofuran-3-yl)methanone::CHEMBL374618::US9725430, Compound 1k::US9962362, Compound 1k

SMILES: Cc1oc2ccccc2c1C(=O)c1ccc(O)cc1

InChI Key: InChIKey=BCQDWIKXULTIHQ-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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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 = 50158457   
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 2C19


(Homo sapiens (Human))
BDBM50158457
PNG
((4-hydroxyphenyl)(2-methylbenzofuran-3-yl)methanon...)
Show SMILES Cc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O3/c1-10-15(13-4-2-3-5-14(13)19-10)16(18)11-6-8-12(17)9-7-11/h2-9,17H,1H3
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MMDB

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Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 47: 6768-76 (2004)


Article DOI: 10.1021/jm049605m
BindingDB Entry DOI: 10.7270/Q29P3153
More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM50158457
PNG
((4-hydroxyphenyl)(2-methylbenzofuran-3-yl)methanon...)
Show SMILES Cc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O3/c1-10-15(13-4-2-3-5-14(13)19-10)16(18)11-6-8-12(17)9-7-11/h2-9,17H,1H3
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US Patent
n/an/a 8.11E+4n/an/an/an/an/an/a



GNF



Assay Description
The compounds were then tested using full-length human recombinant, purified EYA3 and pNPP as a substrate. Compounds were dissolved in DMSO and dilut...


Bioorg Med Chem Lett 16: 5488-92 (2006)


BindingDB Entry DOI: 10.7270/Q2ZK5JZ7
More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM50158457
PNG
((4-hydroxyphenyl)(2-methylbenzofuran-3-yl)methanon...)
Show SMILES Cc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O3/c1-10-15(13-4-2-3-5-14(13)19-10)16(18)11-6-8-12(17)9-7-11/h2-9,17H,1H3
UniProtKB/SwissProt

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PC sid
UniChem

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US Patent
n/an/a 8.11E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)


BindingDB Entry DOI: 10.7270/Q23F4RSZ
More data for this
Ligand-Target Pair