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SMILES: COC(=O)c1cccc(c1)C(=O)C(\Oc1ccc(cc1F)C#N)=C\N(C)C

InChI Key: InChIKey=LFXKALQIXFJREM-PDGQHHTCSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 347715   
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))
BDBM347715
PNG
(Methyl 3-[(Z)-2-(4-cyano-2-fluoro- phenoxy)-3-(dim...)
Show SMILES COC(=O)c1cccc(c1)C(=O)C(\Oc1ccc(cc1F)C#N)=C\N(C)C
Show InChI InChI=1S/C20H17FN2O4/c1-23(2)12-18(27-17-8-7-13(11-22)9-16(17)21)19(24)14-5-4-6-15(10-14)20(25)26-3/h4-10,12H,1-3H3/b18-12-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.321n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)


BindingDB Entry DOI: 10.7270/Q2K64M6M
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM347715
PNG
(Methyl 3-[(Z)-2-(4-cyano-2-fluoro- phenoxy)-3-(dim...)
Show SMILES COC(=O)c1cccc(c1)C(=O)C(\Oc1ccc(cc1F)C#N)=C\N(C)C
Show InChI InChI=1S/C20H17FN2O4/c1-23(2)12-18(27-17-8-7-13(11-22)9-16(17)21)19(24)14-5-4-6-15(10-14)20(25)26-3/h4-10,12H,1-3H3/b18-12-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0320n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF fo...


US Patent US9790217 (2017)


BindingDB Entry DOI: 10.7270/Q2K64M6M
More data for this
Ligand-Target Pair