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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50104887'   
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))
BDBM50104887
PNG
(2,3-dihydro-7-hydroxy-2-phenyl-4H-1-benzopyran-4-o...)
Show SMILES Oc1ccc2C(=O)CC(Oc2c1)c1ccccc1
Show InChI InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2
PDB
MMDB

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CHEMBL
MCE
KEGG
PC cid
PC sid
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Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales

Curated by ChEMBL


Assay Description
Inhibition of human aromatase in placental microsomes


Bioorg Med Chem 16: 1474-80 (2008)


Article DOI: 10.1016/j.bmc.2007.10.057
BindingDB Entry DOI: 10.7270/Q2DR2WCC
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50104887
PNG
(2,3-dihydro-7-hydroxy-2-phenyl-4H-1-benzopyran-4-o...)
Show SMILES Oc1ccc2C(=O)CC(Oc2c1)c1ccccc1
Show InChI InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



UPRES EA 1085

Curated by ChEMBL


Assay Description
Inhibition of aromatase activity in human placental microsomes


Bioorg Med Chem Lett 12: 2859-61 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FHS
More data for this
Ligand-Target Pair