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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50388394'   
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))
BDBM50388394
PNG
(CHEMBL2058267)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC2=O |r,c:10|
Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
PDB
MMDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.50E+3n/an/an/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human microsomes using [1beta-3H]androstenedione as substrate after 5 mins by Dixon plot analysis


J Med Chem 55: 3992-4002 (2012)


Article DOI: 10.1021/jm300262w
BindingDB Entry DOI: 10.7270/Q22V2H52
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50388394
PNG
(CHEMBL2058267)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC2=O |r,c:10|
Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.73E+3n/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes using [1beta-3H]androstenedione as substrate after 15 mins by liquid scintillation counting


J Med Chem 55: 3992-4002 (2012)


Article DOI: 10.1021/jm300262w
BindingDB Entry DOI: 10.7270/Q22V2H52
More data for this
Ligand-Target Pair