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BDBM9903 3-Phenyl-7-(beta-naphthylmethoxy)-2-[(4-pyridylmethyl)thio]-4H-1-benzopyran-4-one::7-(naphthalen-2-ylmethoxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one::isoflavone deriv. 5e

SMILES: O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc4ccccc4c3)ccc12

InChI Key: InChIKey=IVKLCSXSBGHSJA-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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

Found 1 hit for monomerid = 9903   
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 19A1


(Homo sapiens (Human))
BDBM9903
PNG
(3-Phenyl-7-(beta-naphthylmethoxy)-2-[(4-pyridylmet...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C32H23NO3S/c34-31-28-13-12-27(35-20-23-10-11-24-6-4-5-9-26(24)18-23)19-29(28)36-32(30(31)25-7-2-1-3-8-25)37-21-22-14-16-33-17-15-22/h1-19H,20-21H2
PDB
MMDB

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Similars

Article
PubMed
74 -10.1 90n/an/an/an/a7.037



Ohio State University



Assay Description
Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...


Bioorg Med Chem 13: 6571-7 (2005)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2PK0DCK
More data for this
Ligand-Target Pair