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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 = 'BDBM50439057'   
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))
BDBM50439057
PNG
(CHEMBL2417553)
Show SMILES Cc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H16N2/c1-14-9-16(12-19-11-14)10-15-7-8-18(20-13-15)17-5-3-2-4-6-17/h2-9,11-13H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 25 mins by HPLC analysis


Eur J Med Chem 96: 139-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.013
BindingDB Entry DOI: 10.7270/Q2WQ05HQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50439057
PNG
(CHEMBL2417553)
Show SMILES Cc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H16N2/c1-14-9-16(12-19-11-14)10-15-7-8-18(20-13-15)17-5-3-2-4-6-17/h2-9,11-13H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


J Med Chem 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair