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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50035207'   
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))
BDBM50035207
PNG
(1-(pyridin-4-yl)-1a,2,3,7b-tetrahydro-1H-cycloprop...)
Show SMILES Oc1cccc2C3C(CCc12)C3c1ccncc1
Show InChI InChI=1S/C16H15NO/c18-14-3-1-2-12-11(14)4-5-13-15(16(12)13)10-6-8-17-9-7-10/h1-3,6-9,13,15-16,18H,4-5H2
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of aromatase


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50035207
PNG
(1-(pyridin-4-yl)-1a,2,3,7b-tetrahydro-1H-cycloprop...)
Show SMILES Oc1cccc2C3C(CCc12)C3c1ccncc1
Show InChI InChI=1S/C16H15NO/c18-14-3-1-2-12-11(14)4-5-13-15(16(12)13)10-6-8-17-9-7-10/h1-3,6-9,13,15-16,18H,4-5H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of Human placental Cytochrome P450 19A1


J Med Chem 38: 2103-11 (1995)


BindingDB Entry DOI: 10.7270/Q2NV9H9S
More data for this
Ligand-Target Pair