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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B1, mitochondrial' and Ligand = 'BDBM8909'   
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
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8909
PNG
(6-(pyridin-3-yl)naphthalene-2-carbonitrile | 6-Pyr...)
Show SMILES N#Cc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H10N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-9,11H
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 691n/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)


Article DOI: 10.1021/jm0503704
BindingDB Entry DOI: 10.7270/Q2H41PNT
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8909
PNG
(6-(pyridin-3-yl)naphthalene-2-carbonitrile | 6-Pyr...)
Show SMILES N#Cc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H10N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-9,11H
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 691n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8909
PNG
(6-(pyridin-3-yl)naphthalene-2-carbonitrile | 6-Pyr...)
Show SMILES N#Cc1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H10N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-9,11H
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 691n/an/an/an/an/a37



UNIVERSITAT DES SAARLANDES

US Patent


Assay Description
V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...


US Patent US9271963 (2016)


BindingDB Entry DOI: 10.7270/Q2445KBN
More data for this
Ligand-Target Pair