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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50254017'   
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
Aromatase


(Homo sapiens (Human))
BDBM50254017
PNG
(6-((4-fluorophenyl)(1H-imidazol-1-yl)methyl)benzo[...)
Show SMILES Oc1cc2OCOc2cc1C(c1ccc(F)cc1)n1ccnc1
Show InChI InChI=1S/C17H13FN2O3/c18-12-3-1-11(2-4-12)17(20-6-5-19-9-20)13-7-15-16(8-14(13)21)23-10-22-15/h1-9,17,21H,10H2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by Lineweaver-Burk plot in presence of NADPH


J Med Chem 52: 143-50 (2009)


Article DOI: 10.1021/jm800945c
BindingDB Entry DOI: 10.7270/Q2SQ9080
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50254017
PNG
(6-((4-fluorophenyl)(1H-imidazol-1-yl)methyl)benzo[...)
Show SMILES Oc1cc2OCOc2cc1C(c1ccc(F)cc1)n1ccnc1
Show InChI InChI=1S/C17H13FN2O3/c18-12-3-1-11(2-4-12)17(20-6-5-19-9-20)13-7-15-16(8-14(13)21)23-10-22-15/h1-9,17,21H,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPH


J Med Chem 52: 143-50 (2009)


Article DOI: 10.1021/jm800945c
BindingDB Entry DOI: 10.7270/Q2SQ9080
More data for this
Ligand-Target Pair