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BDBM50263384 6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazol-5-yl)nicotinamide::CHEMBL514691::SB-782443

SMILES: Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1

InChI Key: InChIKey=QBATWTOFDFHEDZ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50263384   
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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 100n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium influx by whole cell patch clamp ass...


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Vanilloid receptor 1


(Cavia porcellus)
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
PDB
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n/an/a 63n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at guinea pig TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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Article
PubMed
n/an/a 40n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by whole cell patch clamp a...


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair