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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 = 'BDBM336516'   
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))
BDBM336516
PNG
((R)-1-(7-fluoro-5-(5- (1,1,1-trifluoro-2- hydroxyp...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(c1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O2/c1-10(25)24-4-3-11-5-12(7-15(19)16(11)24)13-6-14(9-23-8-13)17(2,26)18(20,21)22/h5-9,26H,3-4H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


US Patent US9745282 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z66
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM336516
PNG
((R)-1-(7-fluoro-5-(5- (1,1,1-trifluoro-2- hydroxyp...)
Show SMILES CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(c1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C18H16F4N2O2/c1-10(25)24-4-3-11-5-12(7-15(19)16(11)24)13-6-14(9-23-8-13)17(2,26)18(20,21)22/h5-9,26H,3-4H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


US Patent US9745282 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z66
More data for this
Ligand-Target Pair