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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B1, mitochondrial' and Ligand = 'BDBM50378954'   
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))
BDBM50378954
PNG
(CHEMBL2011437 | US9394290, 42)
Show SMILES C(c1cnc(-c2ccco2)c(c1)-c1ccco1)n1ccnc1
Show InChI InChI=1S/C17H13N3O2/c1-3-15(21-7-1)14-9-13(11-20-6-5-18-12-20)10-19-17(14)16-4-2-8-22-16/h1-10,12H,11H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector


ACS Med Chem Lett 2: 559-564 (2011)


Article DOI: 10.1021/ml100283h
BindingDB Entry DOI: 10.7270/Q21R6RJ2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50378954
PNG
(CHEMBL2011437 | US9394290, 42)
Show SMILES C(c1cnc(-c2ccco2)c(c1)-c1ccco1)n1ccnc1
Show InChI InChI=1S/C17H13N3O2/c1-3-15(21-7-1)14-9-13(11-20-6-5-18-12-20)10-19-17(14)16-4-2-8-22-16/h1-10,12H,11H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/an/an/an/an/a37



UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN

US Patent


Assay Description
V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8×10^5 cells per well) w...


US Patent US9394290 (2016)


BindingDB Entry DOI: 10.7270/Q24T6H86
More data for this
Ligand-Target Pair