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BDBM8947 6,7-Dihydroxy-2-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one::6,7-dihydroxy-2-(1H-imidazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-one::GW113 analog 16

SMILES: Oc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1O

InChI Key: InChIKey=ARYMBXLUPQCFRP-UHFFFAOYSA-N

Data: 1 Other

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 8947   
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
Aromatase (CYP19)


(Homo sapiens (human))
BDBM8947
PNG
(6,7-Dihydroxy-2-(1H-imidazol-5-ylmethyl)-3,4-dihyd...)
Show SMILES Oc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1O
Show InChI InChI=1S/C14H14N2O3/c17-12-4-8-1-2-9(3-10-6-15-7-16-10)14(19)11(8)5-13(12)18/h4-7,9,17-18H,1-3H2,(H,15,16)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/an/an/a



Saarland University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H]androstenedione during aromatization. After incubation, the rea...


J Enzyme Inhib Med Chem 19: 17-32 (2004)

More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM8947
PNG
(6,7-Dihydroxy-2-(1H-imidazol-5-ylmethyl)-3,4-dihyd...)
Show SMILES Oc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1O
Show InChI InChI=1S/C14H14N2O3/c17-12-4-8-1-2-9(3-10-6-15-7-16-10)14(19)11(8)5-13(12)18/h4-7,9,17-18H,1-3H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...


J Enzyme Inhib Med Chem 19: 17-32 (2004)

More data for this
Ligand-Target Pair