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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50249076   
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))
BDBM50249076
PNG
(CHEMBL4096914)
Show SMILES CC(C)(O)c1cncc(c1)-n1ncc2c(Cl)ccc(F)c12
Show InChI InChI=1S/C15H13ClFN3O/c1-15(2,21)9-5-10(7-18-6-9)20-14-11(8-19-20)12(16)3-4-13(14)17/h3-8,21H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50249076
PNG
(CHEMBL4096914)
Show SMILES CC(C)(O)c1cncc(c1)-n1ncc2c(Cl)ccc(F)c12
Show InChI InChI=1S/C15H13ClFN3O/c1-15(2,21)9-5-10(7-18-6-9)20-14-11(8-19-20)12(16)3-4-13(14)17/h3-8,21H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...


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