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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B1, mitochondrial' and Ligand = 'BDBM232943'   
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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM232943
PNG
(US9351973, 13 | US9844553, 13)
Show SMILES CCc1c2NC(=O)CCn2nc1-c1cncc(F)c1
Show InChI InChI=1S/C13H13FN4O/c1-2-10-12(8-5-9(14)7-15-6-8)17-18-4-3-11(19)16-13(10)18/h5-7H,2-4H2,1H3,(H,16,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.35E+3n/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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM232943
PNG
(US9351973, 13 | US9844553, 13)
Show SMILES CCc1c2NC(=O)CCn2nc1-c1cncc(F)c1
Show InChI InChI=1S/C13H13FN4O/c1-2-10-12(8-5-9(14)7-15-6-8)17-18-4-3-11(19)16-13(10)18/h5-7H,2-4H2,1H3,(H,16,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.35E+3n/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