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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 19A1' and Ligand = 'BDBM50339148'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50339148
PNG
(CHEMBL1689258 | beta-(3,4-dihydroxyphenyl)ethyl-6-...)
Show SMILES OC[C@@]1(O)CO[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@H]2OCCc2ccc(O)c(O)c2)[C@@H]1O |r|
Show InChI InChI=1S/C28H34O15/c29-12-28(38)13-41-27(25(28)37)43-24-23(36)22(35)20(11-40-21(34)6-3-14-1-4-16(30)18(32)9-14)42-26(24)39-8-7-15-2-5-17(31)19(33)10-15/h1-6,9-10,20,22-27,29-33,35-38H,7-8,11-13H2/b6-3+/t20-,22-,23+,24-,25+,26-,27+,28-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.23E+4n/an/an/an/an/an/a



Yunnan Normal University

Curated by ChEMBL


Assay Description
Inhibition of aromatase preincubated with 2.6 mM NADP+ for 10 mins before substrate addition measured after 30 mins by fluorescence assay


J Nat Prod 74: 129-36 (2011)


Article DOI: 10.1021/np100373f
BindingDB Entry DOI: 10.7270/Q20865MS
More data for this
Ligand-Target Pair