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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 = 'BDBM232944'   
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))
BDBM232944
PNG
(US9351973, 15 | US9844553, 15)
Show SMILES Cc1c2NC(=O)CCn2nc1-c1cncc(F)c1
Show InChI InChI=1S/C12H11FN4O/c1-7-11(8-4-9(13)6-14-5-8)16-17-3-2-10(18)15-12(7)17/h4-6H,2-3H2,1H3,(H,15,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30.9n/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))
BDBM232944
PNG
(US9351973, 15 | US9844553, 15)
Show SMILES Cc1c2NC(=O)CCn2nc1-c1cncc(F)c1
Show InChI InChI=1S/C12H11FN4O/c1-7-11(8-4-9(13)6-14-5-8)16-17-3-2-10(18)15-12(7)17/h4-6H,2-3H2,1H3,(H,15,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30.9n/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