BindingDB PrimarySearch

BDBM20334 1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea::1-isoquinolin-5-yl-3-{[4-(trifluoromethyl)phenyl]methyl}urea::A-425619::CHEMBL104028::JMC48744 Compound 14a

SMILES: FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1

InChI Key: InChIKey=SJGVXVZUSQLLJB-UHFFFAOYSA-N

Data: 3 KI 6 IC50 5 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 20334
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20334 (1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.				Bioorg Med Chem Lett 14: 3053-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.038 BindingDB Entry DOI: 10.7270/Q2FB52D6
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20334 (1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced effect by FLIPR assay				Bioorg Med Chem Lett 25: 803-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.086 BindingDB Entry DOI: 10.7270/Q2JD4ZG3
Shenyang Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20334 (1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	47	-9.99	n/a	n/a	11	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...				J Pharmacol Exp Ther 323: 285-93 (2007) Article DOI: 10.1124/jpet.107.124305 BindingDB Entry DOI: 10.7270/Q28K77B0
Abbott Laboratories					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus (rat))	BDBM20334 (1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...				J Med Chem 48: 744-52 (2005) Article DOI: 10.1021/jm0492958 BindingDB Entry DOI: 10.7270/Q2J38QT3
Abbott Laboratories					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20334 (1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonistic activity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane, as inhibition of agonist-induced intracellular [C...				Bioorg Med Chem Lett 14: 3053-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.038 BindingDB Entry DOI: 10.7270/Q2FB52D6
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20334 (1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay				J Med Chem 50: 2589-96 (2007) Article DOI: 10.1021/jm060637e BindingDB Entry DOI: 10.7270/Q269737M
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20334 (1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay				J Med Chem 50: 2589-96 (2007) Article DOI: 10.1021/jm060637e BindingDB Entry DOI: 10.7270/Q269737M
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20334 (1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 assessed as inhibition of calcium influx				Bioorg Med Chem Lett 21: 1338-41 (2011) Article DOI: 10.1016/j.bmcl.2011.01.056 BindingDB Entry DOI: 10.7270/Q20K28W6
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus (rat))	BDBM20334 (1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay				J Med Chem 50: 2589-96 (2007) Article DOI: 10.1021/jm060637e BindingDB Entry DOI: 10.7270/Q269737M
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20334 (1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...				J Med Chem 48: 744-52 (2005) Article DOI: 10.1021/jm0492958 BindingDB Entry DOI: 10.7270/Q2J38QT3
Abbott Laboratories					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20334 (1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...				Bioorg Med Chem Lett 17: 3894-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.105 BindingDB Entry DOI: 10.7270/Q2NV9GH2
Abbott Laboratories					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20334 (1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...				J Med Chem 50: 3651-60 (2007) Article DOI: 10.1021/jm070276i BindingDB Entry DOI: 10.7270/Q2SJ1HWH
Abbott Laboratories					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20334 (1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux				J Med Chem 51: 392-5 (2008) Article DOI: 10.1021/jm701007g BindingDB Entry DOI: 10.7270/Q218367F
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair