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BDBM50439219 CHEMBL2418808

SMILES: CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1C

InChI Key: InChIKey=SEMFMCZEFJOTEB-UHFFFAOYSA-N

Data: 2 IC50

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 = 50439219   
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
Short transient receptor potential channel 3


(Homo sapiens (Human))
BDBM50439219
PNG
(CHEMBL2418808)
Show SMILES CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1C
Show InChI InChI=1S/C19H22FN3O3S/c1-10-5-4-6-23(11(10)2)18(24)17-12(3)27-19(22-17)21-14-8-16-15(7-13(14)20)25-9-26-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay


Bioorg Med Chem Lett 23: 4979-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.047
BindingDB Entry DOI: 10.7270/Q2319X9H
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50439219
PNG
(CHEMBL2418808)
Show SMILES CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1C
Show InChI InChI=1S/C19H22FN3O3S/c1-10-5-4-6-23(11(10)2)18(24)17-12(3)27-19(22-17)21-14-8-16-15(7-13(14)20)25-9-26-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay


Bioorg Med Chem Lett 23: 4979-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.047
BindingDB Entry DOI: 10.7270/Q2319X9H
More data for this
Ligand-Target Pair