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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50180683'   
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))
BDBM50180683
PNG
(CHEMBL3818720)
Show SMILES COc1ccc2c(Cc3ccccc3)c(-c3ccc(Cl)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H17ClO3/c1-26-18-11-12-19-20(13-15-5-3-2-4-6-15)22(23(25)27-21(19)14-18)16-7-9-17(24)10-8-16/h2-12,14H,13H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
84n/an/an/an/an/an/an/an/a



State University of New York Upstate Medical University

Curated by ChEMBL


Assay Description
Competitive inhibition of human placental microsomal aromatase using androgen as substrate


J Med Chem 59: 5131-48 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01281
BindingDB Entry DOI: 10.7270/Q2TM7D2S
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50180683
PNG
(CHEMBL3818720)
Show SMILES COc1ccc2c(Cc3ccccc3)c(-c3ccc(Cl)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H17ClO3/c1-26-18-11-12-19-20(13-15-5-3-2-4-6-15)22(23(25)27-21(19)14-18)16-7-9-17(24)10-8-16/h2-12,14H,13H2,1H3
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 80n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human MCF7 cells using [1beta-3H]androstenedione as substrate measured after 1 hr by liquid scintillation counting method


Eur J Med Chem 119: 141-68 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.087
BindingDB Entry DOI: 10.7270/Q29Z96V5
More data for this
Ligand-Target Pair