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SMILES: CC(C)c1c(F)cncc1-c1cc(F)c-2c(CCc3nnc(C)n-23)c1

InChI Key: InChIKey=KGAFNYRYMCYLBY-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 212443   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM212443
PNG
(US9278093, 3)
Show SMILES CC(C)c1c(F)cncc1-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C19H18F2N4/c1-10(2)18-14(8-22-9-16(18)21)13-6-12-4-5-17-24-23-11(3)25(17)19(12)15(20)7-13/h6-10H,4-5H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.97E+3n/an/an/an/an/a37



Merck Sharp & Dohme Corp.; ElexoPharm GmbH

US Patent


Assay Description
Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...


US Patent US9278093 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N5D
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM212443
PNG
(US9278093, 3)
Show SMILES CC(C)c1c(F)cncc1-c1cc(F)c-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C19H18F2N4/c1-10(2)18-14(8-22-9-16(18)21)13-6-12-4-5-17-24-23-11(3)25(17)19(12)15(20)7-13/h6-10H,4-5H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.5n/an/an/an/an/a37



Merck Sharp & Dohme Corp.; ElexoPharm GmbH

US Patent


Assay Description
Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...


US Patent US9278093 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N5D
More data for this
Ligand-Target Pair