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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 = 'BDBM232945'   
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))
BDBM232945
PNG
(US9351973, 19 | US9844553, 19)
Show SMILES Fc1cncc(c1)-c1nn2CCC(=O)Nc2c1C1CC1
Show InChI InChI=1S/C14H13FN4O/c15-10-5-9(6-16-7-10)13-12(8-1-2-8)14-17-11(20)3-4-19(14)18-13/h5-8H,1-4H2,(H,17,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 102n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme...


US Patent US9844553 (2017)


BindingDB Entry DOI: 10.7270/Q2J67K61
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM232945
PNG
(US9351973, 19 | US9844553, 19)
Show SMILES Fc1cncc(c1)-c1nn2CCC(=O)Nc2c1C1CC1
Show InChI InChI=1S/C14H13FN4O/c15-10-5-9(6-16-7-10)13-12(8-1-2-8)14-17-11(20)3-4-19(14)18-13/h5-8H,1-4H2,(H,17,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 102n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

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 US9351973 (2016)


BindingDB Entry DOI: 10.7270/Q2D799BC
More data for this
Ligand-Target Pair