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BDBM9899 3-Phenyl-7-(2-nitrophenylmethoxy)-2-[(4-pyridylmethyl)thio]-4H-1-benzopyran-4-one::7-[(2-nitrophenyl)methoxy]-3-phenyl-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one::isoflavone deriv. 5a

SMILES: O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3N(=O)=O)ccc12

InChI Key: InChIKey=RXEQUABMAQECLT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9899   
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))
BDBM9899
PNG
(3-Phenyl-7-(2-nitrophenylmethoxy)-2-[(4-pyridylmet...)
Show SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3N(=O)=O)ccc12
Show InChI InChI=1S/C28H20N2O5S/c31-27-23-11-10-22(34-17-21-8-4-5-9-24(21)30(32)33)16-25(23)35-28(26(27)20-6-2-1-3-7-20)36-18-19-12-14-29-15-13-19/h1-16H,17-18H2
PDB
MMDB

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Similars

Article
PubMed
n/an/a 138n/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