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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B2, mitochondrial' and Ligand = 'BDBM50249044'   
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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50249044
PNG
(CHEMBL4067000)
Show SMILES CC(C)(O)c1cncc(c1)-n1ncc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-15(2,23)10-6-11(8-20-7-10)22-14-5-3-4-13(16(17,18)19)12(14)9-21-22/h3-9,23H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...


Bioorg Med Chem Lett 27: 2384-2388 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.021
BindingDB Entry DOI: 10.7270/Q2MC92F2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Rattus norvegicus)
BDBM50249044
PNG
(CHEMBL4067000)
Show SMILES CC(C)(O)c1cncc(c1)-n1ncc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C16H14F3N3O/c1-15(2,23)10-6-11(8-20-7-10)22-14-5-3-4-13(16(17,18)19)12(14)9-21-22/h3-9,23H,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat CYP11B2-1F4 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by subs...


Bioorg Med Chem Lett 27: 2384-2388 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.021
BindingDB Entry DOI: 10.7270/Q2MC92F2
More data for this
Ligand-Target Pair