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SMILES: CN(C)\C=C(\Oc1ccc(cc1)C#N)C(=O)c1cccc(Cl)c1F

InChI Key: InChIKey=ORKHYCOJCPDGES-LFIBNONCSA-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 = 347707   
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))
BDBM347707
PNG
(4-[(E)-1-(3-Chloro-2-fluoro- benzoyl)-2- (dimethyl...)
Show SMILES CN(C)\C=C(\Oc1ccc(cc1)C#N)C(=O)c1cccc(Cl)c1F
Show InChI InChI=1S/C18H14ClFN2O2/c1-22(2)11-16(24-13-8-6-12(10-21)7-9-13)18(23)14-4-3-5-15(19)17(14)20/h3-9,11H,1-2H3/b16-11+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.191n/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))
BDBM347707
PNG
(4-[(E)-1-(3-Chloro-2-fluoro- benzoyl)-2- (dimethyl...)
Show SMILES CN(C)\C=C(\Oc1ccc(cc1)C#N)C(=O)c1cccc(Cl)c1F
Show InChI InChI=1S/C18H14ClFN2O2/c1-22(2)11-16(24-13-8-6-12(10-21)7-9-13)18(23)14-4-3-5-15(19)17(14)20/h3-9,11H,1-2H3/b16-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00800n/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