Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'gentry' and Initial = 'c'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin S (Homo sapiens (Human))	BDBM25138 (2-cyano-pyrropyrimidine, 7d | 7-(2-cyclopentylethy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1 Show InChI InChI=1S/C27H32N6O2/c1-20(34)31-12-14-32(15-13-31)23-6-8-25(9-7-23)35-19-24-16-22-18-29-26(17-28)30-27(22)33(24)11-10-21-4-2-3-5-21/h6-9,16,18,21H,2-5,10-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin S (Homo sapiens (Human))	BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25136 (2-cyano-pyrropyrimidine, 7b | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1F Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)26-8-7-24(16-25(26)29)37-19-23-15-22-18-31-27(17-30)32-28(22)35(23)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25141 (2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1 Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25137 (2-cyano-pyrropyrimidine, 7c | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-13-5-14-34(17-16-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)15-12-23-6-3-2-4-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180699 (6(4-chloro-3-ethoxy-phenyl)-7-isopropyl-2-methyl-3...) Show SMILES CCOc1cc(ccc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O Show InChI InChI=1S/C20H21ClN2O2/c1-5-25-19-8-13(6-7-17(19)21)15-9-16-18(10-14(15)11(2)3)22-12(4)23-20(16)24/h6-11H,5H2,1-4H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180715 (6-(4-chloro-phenyl)-7-isopropyl-2-methyl-3H-quinaz...) Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN2O/c1-10(2)14-9-17-16(18(22)21-11(3)20-17)8-15(14)12-4-6-13(19)7-5-12/h4-10H,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM25135 (2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1 Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180717 (6(4-chloro-3-methoxy-phenyl)-7-isopropyl-2-methyl-...) Show SMILES COc1cc(ccc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O Show InChI InChI=1S/C19H19ClN2O2/c1-10(2)13-9-17-15(19(23)22-11(3)21-17)8-14(13)12-5-6-16(20)18(7-12)24-4/h5-10H,1-4H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25139 (2-cyano-pyrropyrimidine, 7e | 7-[2-(4-chlorophenyl...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCc2ccc(Cl)cc2)C#N)cc1 Show InChI InChI=1S/C28H27ClN6O2/c1-20(36)33-12-14-34(15-13-33)24-6-8-26(9-7-24)37-19-25-16-22-18-31-27(17-30)32-28(22)35(25)11-10-21-2-4-23(29)5-3-21/h2-9,16,18H,10-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25135 (2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1 Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180711 (7-tert-butyl-6-(4-chloro-phenyl)-2-thioxo-2,3-dihy...) Show SMILES CC(C)(C)c1nc2[nH]c(=S)[nH]c(=O)c2cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H16ClN3OS/c1-17(2,3)13-11(9-4-6-10(18)7-5-9)8-12-14(19-13)20-16(23)21-15(12)22/h4-8H,1-3H3,(H2,19,20,21,22,23)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of low pH activation of human TRPV1				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM25141 (2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1 Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of rat CB1 receptor				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180706 (6-(4-chloro-3fluoro-phenyl)-7-isopropyl-2-methyl-3...) Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H16ClFN2O/c1-9(2)12-8-17-14(18(23)22-10(3)21-17)7-13(12)11-4-5-15(19)16(20)6-11/h4-9H,1-3H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50180708 (7-tert-butyl-6-phenyl-2-thioxo-2,3-dihydro-1H-pyri...) Show SMILES CC(C)(C)c1nc2[nH]c(=S)[nH]c(=O)c2cc1-c1ccccc1 Show InChI InChI=1S/C17H17N3OS/c1-17(2,3)13-11(10-7-5-4-6-8-10)9-12-14(18-13)19-16(22)20-15(12)21/h4-9H,1-3H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of low pH activation of rat TRPV1				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218121 (CHEMBL390675 | naphthalen-1-yl-(4-pentylaminonapht...) Show SMILES CCCCCNc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H25NO/c1-2-3-8-18-27-25-17-16-24(21-13-6-7-14-22(21)25)26(28)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17,27H,2-3,8,18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180698 (6-1,3-benzdioxolo-5-yl-7-isopropyl-2-methyl-3H-qui...) Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc2OCOc2c1 Show InChI InChI=1S/C19H18N2O3/c1-10(2)13-8-16-15(19(22)21-11(3)20-16)7-14(13)12-4-5-17-18(6-12)24-9-23-17/h4-8,10H,9H2,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180719 (6-(2,4-dichloro-5-ethoxy-phenyl)-7-isopropyl-2-met...) Show SMILES CCOc1cc(c(Cl)cc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O Show InChI InChI=1S/C20H20Cl2N2O2/c1-5-26-19-8-14(16(21)9-17(19)22)13-6-15-18(7-12(13)10(2)3)23-11(4)24-20(15)25/h6-10H,5H2,1-4H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180701 (6(4-chloro-3-propoxy-phenyl)-7-isopropyl-2-methyl-...) Show SMILES CCCOc1cc(ccc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O Show InChI InChI=1S/C21H23ClN2O2/c1-5-8-26-20-9-14(6-7-18(20)22)16-10-17-19(11-15(16)12(2)3)23-13(4)24-21(17)25/h6-7,9-12H,5,8H2,1-4H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180703 (6(3-chloro-4-methyl-phenyl)-7-isopropyl-2-methyl-3...) Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(C)c(Cl)c1 Show InChI InChI=1S/C19H19ClN2O/c1-10(2)14-9-18-16(19(23)22-12(4)21-18)8-15(14)13-6-5-11(3)17(20)7-13/h5-10H,1-4H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218123 (CHEMBL244402 | naphthalen-1-yl-(4-butoxynaphthalen...) Show SMILES CCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H22O2/c1-2-3-17-27-24-16-15-23(20-12-6-7-13-21(20)24)25(26)22-14-8-10-18-9-4-5-11-19(18)22/h4-16H,2-3,17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180708 (7-tert-butyl-6-phenyl-2-thioxo-2,3-dihydro-1H-pyri...) Show SMILES CC(C)(C)c1nc2[nH]c(=S)[nH]c(=O)c2cc1-c1ccccc1 Show InChI InChI=1S/C17H17N3OS/c1-17(2,3)13-11(10-7-5-4-6-8-10)9-12-14(18-13)19-16(22)20-15(12)21/h4-9H,1-3H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of low pH activation of human TRPV1				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25140 (2-cyano-pyrropyrimidine, 7f | 7-(2-cycloheptylethy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCCC2)C#N)cc1 Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-14-16-34(17-15-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)13-12-23-6-4-2-3-5-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50212312 (6(4-chloro-3-cyclopropylmethoxy-phenyl)-7-isopropy...) Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC2CC2)c1 Show InChI InChI=1S/C22H23ClN2O2/c1-12(2)16-10-20-18(22(26)25-13(3)24-20)9-17(16)15-6-7-19(23)21(8-15)27-11-14-4-5-14/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM25138 (2-cyano-pyrropyrimidine, 7d | 7-(2-cyclopentylethy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1 Show InChI InChI=1S/C27H32N6O2/c1-20(34)31-12-14-32(15-13-31)23-6-8-25(9-7-23)35-19-24-16-22-18-29-26(17-28)30-27(22)33(24)11-10-21-4-2-3-5-21/h6-9,16,18,21H,2-5,10-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180710 (6(3-butoxy-4-chloro-phenyl)-7-isopropyl-2-methyl-3...) Show SMILES CCCCOc1cc(ccc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O Show InChI InChI=1S/C22H25ClN2O2/c1-5-6-9-27-21-10-15(7-8-19(21)23)17-11-18-20(12-16(17)13(2)3)24-14(4)25-22(18)26/h7-8,10-13H,5-6,9H2,1-4H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218123 (CHEMBL244402 | naphthalen-1-yl-(4-butoxynaphthalen...) Show SMILES CCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H22O2/c1-2-3-17-27-24-16-15-23(20-12-6-7-13-21(20)24)25(26)22-14-8-10-18-9-4-5-11-19(18)22/h4-16H,2-3,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50180708 (7-tert-butyl-6-phenyl-2-thioxo-2,3-dihydro-1H-pyri...) Show SMILES CC(C)(C)c1nc2[nH]c(=S)[nH]c(=O)c2cc1-c1ccccc1 Show InChI InChI=1S/C17H17N3OS/c1-17(2,3)13-11(10-7-5-4-6-8-10)9-12-14(18-13)19-16(22)20-15(12)21/h4-9H,1-3H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in rat TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218120 (CHEMBL243334 | naphthalen-1-yl-(4-propoxynaphthale...) Show SMILES CCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H20O2/c1-2-16-26-23-15-14-22(19-11-5-6-12-20(19)23)24(25)21-13-7-9-17-8-3-4-10-18(17)21/h3-15H,2,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180718 (6-(3-chloro-5-methoxy-phenyl)-7-isopropyl-2-methyl...) Show SMILES COc1cc(Cl)cc(c1)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O Show InChI InChI=1S/C19H19ClN2O2/c1-10(2)15-9-18-17(19(23)22-11(3)21-18)8-16(15)12-5-13(20)7-14(6-12)24-4/h5-10H,1-4H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180708 (7-tert-butyl-6-phenyl-2-thioxo-2,3-dihydro-1H-pyri...) Show SMILES CC(C)(C)c1nc2[nH]c(=S)[nH]c(=O)c2cc1-c1ccccc1 Show InChI InChI=1S/C17H17N3OS/c1-17(2,3)13-11(10-7-5-4-6-8-10)9-12-14(18-13)19-16(22)20-15(12)21/h4-9H,1-3H3,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50212312 (6(4-chloro-3-cyclopropylmethoxy-phenyl)-7-isopropy...) Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC2CC2)c1 Show InChI InChI=1S/C22H23ClN2O2/c1-12(2)16-10-20-18(22(26)25-13(3)24-20)9-17(16)15-6-7-19(23)21(8-15)27-11-14-4-5-14/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of low pH activation of rat TRPV1				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218121 (CHEMBL390675 | naphthalen-1-yl-(4-pentylaminonapht...) Show SMILES CCCCCNc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H25NO/c1-2-3-8-18-27-25-17-16-24(21-13-6-7-14-22(21)25)26(28)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17,27H,2-3,8,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180702 (2-amino-6-(4-chloro-phenyl)-7-isopropyl-3H-quinazo...) Show SMILES CC(C)c1cc2nc(N)[nH]c(=O)c2cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H16ClN3O/c1-9(2)12-8-15-14(16(22)21-17(19)20-15)7-13(12)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H3,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180704 (6(4-chloro-3-cyclobutylmethoxy-phenyl)-7-isopropyl...) Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC2CCC2)c1 Show InChI InChI=1S/C23H25ClN2O2/c1-13(2)17-11-21-19(23(27)26-14(3)25-21)10-18(17)16-7-8-20(24)22(9-16)28-12-15-5-4-6-15/h7-11,13,15H,4-6,12H2,1-3H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218119 ((4-hexyloxynaphthalen-1-yl)naphthalen-1-ylmethanon...) Show SMILES CCCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C27H26O2/c1-2-3-4-9-19-29-26-18-17-25(22-14-7-8-15-23(22)26)27(28)24-16-10-12-20-11-5-6-13-21(20)24/h5-8,10-18H,2-4,9,19H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180712 (6-(4-chloro-3-isopropoxy-phenyl)-7-isopropyl-2-met...) Show SMILES CC(C)Oc1cc(ccc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O Show InChI InChI=1S/C21H23ClN2O2/c1-11(2)15-10-19-17(21(25)24-13(5)23-19)9-16(15)14-6-7-18(22)20(8-14)26-12(3)4/h6-12H,1-5H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180713 (6-[4-chloro3-(2-methoxy-ethoxy)-phenyl]-7-isopropy...) Show SMILES COCCOc1cc(ccc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O Show InChI InChI=1S/C21H23ClN2O3/c1-12(2)15-11-19-17(21(25)24-13(3)23-19)10-16(15)14-5-6-18(22)20(9-14)27-8-7-26-4/h5-6,9-12H,7-8H2,1-4H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50180714 (6(3-ethoxy-4-methoxy-phenyl)-7-isopropyl-2-methyl-...) Show SMILES CCOc1cc(ccc1OC)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O Show InChI InChI=1S/C21H24N2O3/c1-6-26-20-9-14(7-8-19(20)25-5)16-10-17-18(11-15(16)12(2)3)22-13(4)23-21(17)24/h7-12H,6H2,1-5H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	286	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM25137 (2-cyano-pyrropyrimidine, 7c | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-13-5-14-34(17-16-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)15-12-23-6-3-2-4-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218120 (CHEMBL243334 | naphthalen-1-yl-(4-propoxynaphthale...) Show SMILES CCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H20O2/c1-2-16-26-23-15-14-22(19-11-5-6-12-20(19)23)24(25)21-13-7-9-17-8-3-4-10-18(17)21/h3-15H,2,16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20284 (CHEMBL391997 | CPZ | Capsazepine | N-[2-(4-chlorop...) Show SMILES Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	334	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay				J Med Chem 49: 471-4 (2006) Article DOI: 10.1021/jm051058x BindingDB Entry DOI: 10.7270/Q2RX9BNT
					More data for this Ligand-Target Pair				3D Structure (crystal)

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