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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50049763'   
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))
BDBM50049763
PNG
(2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihy...)
Show SMILES O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13|
Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)
PDB
MMDB

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Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.


J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair
Aromatase


(Rattus norvegicus)
BDBM50049763
PNG
(2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihy...)
Show SMILES O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13|
Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)
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PC sid
UniChem

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Article
PubMed
n/an/a 170n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of rat ovarian aromatase


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50049763
PNG
(2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihy...)
Show SMILES O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13|
Show InChI InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Universität de Saarlandes

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.


J Med Chem 39: 834-41 (1996)


Article DOI: 10.1021/jm950377t
BindingDB Entry DOI: 10.7270/Q29K499J
More data for this
Ligand-Target Pair