Compile Data Set for Download or QSAR

Found 203 hits with Last Name = 'choi' and Initial = 'sh'   

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
Protein kinase C delta type (Homo sapiens (Human))	BDBM92596 (Sapintoxin D) Show SMILES CCCC(=O)O[C@@]12C(C3CC(=O)C[C@@]4(O)C(C=C(C)C4=O)[C@]3(O)[C@@H](C)[C@H]1OC(=O)c1ccccc1NC)C2(C)C |r,t:16| Show InChI InChI=1S/C31H39NO8/c1-7-10-23(34)40-31-24(28(31,4)5)20-14-18(33)15-29(37)22(13-16(2)25(29)35)30(20,38)17(3)26(31)39-27(36)19-11-8-9-12-21(19)32-6/h8-9,11-13,17,20,22,24,26,32,37-38H,7,10,14-15H2,1-6H3/t17-,20?,22?,24?,26+,29+,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	-54.9	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50107112 ((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16	-49.8	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM92595 (DAG-lactone (130C045)) Show SMILES CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)N(=O)=O)OC2=O)cc1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-3-15(4-8-18)11-17-12-22(13-25,31-21(17)27)14-30-20(26)16-5-9-19(10-6-16)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.54	-49.1	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM92596 (Sapintoxin D) Show SMILES CCCC(=O)O[C@@]12C(C3CC(=O)C[C@@]4(O)C(C=C(C)C4=O)[C@]3(O)[C@@H](C)[C@H]1OC(=O)c1ccccc1NC)C2(C)C |r,t:16| Show InChI InChI=1S/C31H39NO8/c1-7-10-23(34)40-31-24(28(31,4)5)20-14-18(33)15-29(37)22(13-16(2)25(29)35)30(20,38)17(3)26(31)39-27(36)19-11-8-9-12-21(19)32-6/h8-9,11-13,17,20,22,24,26,32,37-38H,7,10,14-15H2,1-6H3/t17-,20?,22?,24?,26+,29+,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	-45.9	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) Show SMILES CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC |r| Show InChI InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	6.80	-45.5	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM92596 (Sapintoxin D) Show SMILES CCCC(=O)O[C@@]12C(C3CC(=O)C[C@@]4(O)C(C=C(C)C4=O)[C@]3(O)[C@@H](C)[C@H]1OC(=O)c1ccccc1NC)C2(C)C |r,t:16| Show InChI InChI=1S/C31H39NO8/c1-7-10-23(34)40-31-24(28(31,4)5)20-14-18(33)15-29(37)22(13-16(2)25(29)35)30(20,38)17(3)26(31)39-27(36)19-11-8-9-12-21(19)32-6/h8-9,11-13,17,20,22,24,26,32,37-38H,7,10,14-15H2,1-6H3/t17-,20?,22?,24?,26+,29+,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12.6	-44.0	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM92596 (Sapintoxin D) Show SMILES CCCC(=O)O[C@@]12C(C3CC(=O)C[C@@]4(O)C(C=C(C)C4=O)[C@]3(O)[C@@H](C)[C@H]1OC(=O)c1ccccc1NC)C2(C)C |r,t:16| Show InChI InChI=1S/C31H39NO8/c1-7-10-23(34)40-31-24(28(31,4)5)20-14-18(33)15-29(37)22(13-16(2)25(29)35)30(20,38)17(3)26(31)39-27(36)19-11-8-9-12-21(19)32-6/h8-9,11-13,17,20,22,24,26,32,37-38H,7,10,14-15H2,1-6H3/t17-,20?,22?,24?,26+,29+,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18.2	-43.1	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107112 ((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	402	-35.6	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM50107112 ((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+3	-33.4	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM50107112 ((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+3	-33.3	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) Show SMILES CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC |r| Show InChI InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.82E+3	-30.9	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM92595 (DAG-lactone (130C045)) Show SMILES CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)N(=O)=O)OC2=O)cc1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-3-15(4-8-18)11-17-12-22(13-25,31-21(17)27)14-30-20(26)16-5-9-19(10-6-16)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	-30.0	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) Show SMILES CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC |r| Show InChI InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	6.70E+3	-28.8	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM50015677 ((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...) Show SMILES CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC |r| Show InChI InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	6.96E+3	-28.7	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM92595 (DAG-lactone (130C045)) Show SMILES CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)N(=O)=O)OC2=O)cc1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-3-15(4-8-18)11-17-12-22(13-25,31-21(17)27)14-30-20(26)16-5-9-19(10-6-16)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.26E+4	-25.9	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM92595 (DAG-lactone (130C045)) Show SMILES CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)N(=O)=O)OC2=O)cc1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-3-15(4-8-18)11-17-12-22(13-25,31-21(17)27)14-30-20(26)16-5-9-19(10-6-16)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.26E+4	-25.9	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222640 (CHEMBL415543) Show SMILES COc1cc(CCCN(CCc2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C27H32N2O2S/c1-31-26-21-24(14-15-25(26)30)13-8-19-29(20-17-23-11-6-3-7-12-23)27(32)28-18-16-22-9-4-2-5-10-22/h2-7,9-12,14-15,21,30H,8,13,16-20H2,1H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222640 (CHEMBL415543) Show SMILES COc1cc(CCCN(CCc2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C27H32N2O2S/c1-31-26-21-24(14-15-25(26)30)13-8-19-29(20-17-23-11-6-3-7-12-23)27(32)28-18-16-22-9-4-2-5-10-22/h2-7,9-12,14-15,21,30H,8,13,16-20H2,1H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222695 (CHEMBL155433) Show SMILES COc1cc(CCCN(C(c2ccccc2)c2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C32H34N2O2S/c1-36-30-24-26(19-20-29(30)35)14-11-23-34(32(37)33-22-21-25-12-5-2-6-13-25)31(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-20,24,31,35H,11,14,21-23H2,1H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222637 (CHEMBL154743) Show SMILES COc1cc(CCCN(CCc2ccc(cc2)[N+]([O-])=O)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C27H31N3O4S/c1-34-26-20-23(11-14-25(26)31)8-5-18-29(19-16-22-9-12-24(13-10-22)30(32)33)27(35)28-17-15-21-6-3-2-4-7-21/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,28,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222696 (CHEMBL156041) Show SMILES COc1cc(CCCN(CCc2ccc(Cl)cc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C27H31ClN2O2S/c1-32-26-20-23(11-14-25(26)31)8-5-18-30(19-16-22-9-12-24(28)13-10-22)27(33)29-17-15-21-6-3-2-4-7-21/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222635 (CHEMBL267205) Show SMILES COc1ccc(CCN(CCCc2ccc(O)c(OC)c2)C(\S)=N\CCc2ccccc2)cc1 Show InChI InChI=1S/C28H34N2O3S/c1-32-25-13-10-23(11-14-25)17-20-30(28(34)29-18-16-22-7-4-3-5-8-22)19-6-9-24-12-15-26(31)27(21-24)33-2/h3-5,7-8,10-15,21,31H,6,9,16-20H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344779 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CC(C)(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222649 (CHEMBL155730) Show SMILES COc1cc(CCCN(Cc2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C26H30N2O2S/c1-30-25-19-22(14-15-24(25)29)13-8-18-28(20-23-11-6-3-7-12-23)26(31)27-17-16-21-9-4-2-5-10-21/h2-7,9-12,14-15,19,29H,8,13,16-18,20H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222647 (CHEMBL154990) Show SMILES COc1cc(CCCN(CCc2ccc(C)cc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C28H34N2O2S/c1-22-10-12-24(13-11-22)17-20-30(28(33)29-18-16-23-7-4-3-5-8-23)19-6-9-25-14-15-26(31)27(21-25)32-2/h3-5,7-8,10-15,21,31H,6,9,16-20H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222641 (CHEMBL157962) Show SMILES COc1cc(CCCN(CCc2ccc(F)cc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C27H31FN2O2S/c1-32-26-20-23(11-14-25(26)31)8-5-18-30(19-16-22-9-12-24(28)13-10-22)27(33)29-17-15-21-6-3-2-4-7-21/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344783 ((S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CC(C)(C)SC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H26F3N3O2S/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344777 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES N[C@@H](CC(=O)N1CCNC(=O)[C@H]1COC1CCCC1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H26F3N3O3/c21-15-10-17(23)16(22)8-12(15)7-13(24)9-19(27)26-6-5-25-20(28)18(26)11-29-14-3-1-2-4-14/h8,10,13-14,18H,1-7,9,11,24H2,(H,25,28)/t13-,18-/m1/s1	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344778 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CC(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C18H24F3N3O3/c1-10(2)27-9-16-18(26)23-3-4-24(16)17(25)7-12(22)5-11-6-14(20)15(21)8-13(11)19/h6,8,10,12,16H,3-5,7,9,22H2,1-2H3,(H,23,26)/t12-,16-/m1/s1	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222638 (CHEMBL422702) Show SMILES COc1cc(CCCN(CCc2ccccc2)C(\S)=N\CCc2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C27H31ClN2O2S/c1-32-26-20-23(11-14-25(26)31)8-5-18-30(19-16-21-6-3-2-4-7-21)27(33)29-17-15-22-9-12-24(28)13-10-22/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222644 (CHEMBL434295) Show SMILES COc1cc(CCCN(C(C)C)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C22H30N2O2S/c1-17(2)24(22(27)23-14-13-18-8-5-4-6-9-18)15-7-10-19-11-12-20(25)21(16-19)26-3/h4-6,8-9,11-12,16-17,25H,7,10,13-15H2,1-3H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222648 (CHEMBL156693) Show SMILES COc1cc(CCCN(C2CCCCC2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C25H34N2O2S/c1-29-24-19-21(14-15-23(24)28)11-8-18-27(22-12-6-3-7-13-22)25(30)26-17-16-20-9-4-2-5-10-20/h2,4-5,9-10,14-15,19,22,28H,3,6-8,11-13,16-18H2,1H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222639 (CHEMBL356682) Show SMILES COc1cc(CCCN(CCCc2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C28H34N2O2S/c1-32-27-22-25(16-17-26(27)31)15-9-21-30(20-8-14-23-10-4-2-5-11-23)28(33)29-19-18-24-12-6-3-7-13-24/h2-7,10-13,16-17,22,31H,8-9,14-15,18-21H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344776 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CCOC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C17H22F3N3O3/c1-2-26-9-15-17(25)22-3-4-23(15)16(24)7-11(21)5-10-6-13(19)14(20)8-12(10)18/h6,8,11,15H,2-5,7,9,21H2,1H3,(H,22,25)/t11-,15-/m1/s1	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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222646 (CHEMBL157917) Show SMILES COc1cc(CCCN(CCc2ccccc2)C(\S)=N\CCc2ccc(F)cc2)ccc1O Show InChI InChI=1S/C27H31FN2O2S/c1-32-26-20-23(11-14-25(26)31)8-5-18-30(19-16-21-6-3-2-4-7-21)27(33)29-17-15-22-9-12-24(28)13-10-22/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344782 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES N[C@@H](CC(=O)N1CCNC(=O)[C@H]1CN1CCOCC1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H25F3N4O3/c20-14-10-16(22)15(21)8-12(14)7-13(23)9-18(27)26-2-1-24-19(28)17(26)11-25-3-5-29-6-4-25/h8,10,13,17H,1-7,9,11,23H2,(H,24,28)/t13-,17-/m1/s1	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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222694 (CHEMBL158189) Show SMILES COc1cc(CCCCN(CCc2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O Show InChI InChI=1S/C28H34N2O2S/c1-32-27-22-25(15-16-26(27)31)14-8-9-20-30(21-18-24-12-6-3-7-13-24)28(33)29-19-17-23-10-4-2-5-11-23/h2-7,10-13,15-16,22,31H,8-9,14,17-21H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344788 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES COc1cc(CN2CCN(CC2=O)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)c(cc1OC)[N+]([O-])=O |r| Show InChI InChI=1S/C23H25F3N4O6/c1-35-20-7-14(19(30(33)34)10-21(20)36-2)11-28-3-4-29(12-23(28)32)22(31)8-15(27)5-13-6-17(25)18(26)9-16(13)24/h6-7,9-10,15H,3-5,8,11-12,27H2,1-2H3/t15-/m1/s1	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	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344775 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES COC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H20F3N3O3/c1-25-8-14-16(24)21-2-3-22(14)15(23)6-10(20)4-9-5-12(18)13(19)7-11(9)17/h5,7,10,14H,2-4,6,8,20H2,1H3,(H,21,24)/t10-,14-/m1/s1	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	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222691 (CHEMBL156927) Show SMILES CC(C)N(CCCc1ccc(O)c(O)c1)C(\S)=N\CCc1ccccc1 Show InChI InChI=1S/C21H28N2O2S/c1-16(2)23(14-6-9-18-10-11-19(24)20(25)15-18)21(26)22-13-12-17-7-4-3-5-8-17/h3-5,7-8,10-11,15-16,24-25H,6,9,12-14H2,1-2H3,(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222690 (CHEMBL345157) Show SMILES CCCCN(CCCc1ccc(O)c(OC)c1)C(\S)=N\CCc1ccccc1 Show InChI InChI=1S/C23H32N2O2S/c1-3-4-16-25(23(28)24-15-14-19-9-6-5-7-10-19)17-8-11-20-12-13-21(26)22(18-20)27-2/h5-7,9-10,12-13,18,26H,3-4,8,11,14-17H2,1-2H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344781 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CCN(CC)C[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H27F3N4O2/c1-3-25(4-2)11-17-19(28)24-5-6-26(17)18(27)9-13(23)7-12-8-15(21)16(22)10-14(12)20/h8,10,13,17H,3-7,9,11,23H2,1-2H3,(H,24,28)/t13-,17-/m1/s1	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222645 (CHEMBL157918) Show SMILES COc1ccc(CCCN(C(C)C)C(\S)=N\CCc2ccccc2)cc1OC Show InChI InChI=1S/C23H32N2O2S/c1-18(2)25(23(28)24-15-14-19-9-6-5-7-10-19)16-8-11-20-12-13-21(26-3)22(17-20)27-4/h5-7,9-10,12-13,17-18H,8,11,14-16H2,1-4H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50222693 (CHEMBL157579) Show SMILES CCCN(CCCc1ccc(O)c(OC)c1)C(\S)=N\CCc1ccccc1 Show InChI InChI=1S/C22H30N2O2S/c1-3-15-24(22(27)23-14-13-18-8-5-4-6-9-18)16-7-10-19-11-12-20(25)21(17-19)26-2/h4-6,8-9,11-12,17,25H,3,7,10,13-16H2,1-2H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...				Bioorg Med Chem Lett 13: 601-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP7747
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344774 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES N[C@@H](CC(=O)N1CCNC(=O)[C@H]1CO)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C15H18F3N3O3/c16-10-6-12(18)11(17)4-8(10)3-9(19)5-14(23)21-2-1-20-15(24)13(21)7-22/h4,6,9,13,22H,1-3,5,7,19H2,(H,20,24)/t9-,13-/m1/s1	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
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344769 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES N[C@@H](CC(=O)N1CCN(Cc2ccccc2[N+]([O-])=O)C(=O)C1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H21F3N4O4/c22-16-10-18(24)17(23)8-14(16)7-15(25)9-20(29)27-6-5-26(21(30)12-27)11-13-3-1-2-4-19(13)28(31)32/h1-4,8,10,15H,5-7,9,11-12,25H2/t15-/m1/s1	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	13.7	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50224228 (CHEMBL46233) Show SMILES CC(C)(C)C(=O)OCc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C Show InChI InChI=1S/C26H36FN3O4S2/c1-25(2,3)20-10-9-18(19(13-20)16-34-23(31)26(4,5)6)15-29-24(35)28-14-17-8-11-22(21(27)12-17)30-36(7,32)33/h8-13,30H,14-16H2,1-7H3,(H2,28,29,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons				Bioorg Med Chem Lett 14: 1693-6 (2004) BindingDB Entry DOI: 10.7270/Q23B6294
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344780 ((R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CCN(C)C[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C18H25F3N4O2/c1-3-24(2)10-16-18(27)23-4-5-25(16)17(26)8-12(22)6-11-7-14(20)15(21)9-13(11)19/h7,9,12,16H,3-6,8,10,22H2,1-2H3,(H,23,27)/t12-,16-/m1/s1	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50224175 (CHEMBL48061) Show SMILES CCCCOc1cc(ccc1C\N=C(/S)NCc1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C Show InChI InChI=1S/C24H34FN3O3S2/c1-6-7-12-31-22-14-19(24(2,3)4)10-9-18(22)16-27-23(32)26-15-17-8-11-21(20(25)13-17)28-33(5,29)30/h8-11,13-14,28H,6-7,12,15-16H2,1-5H3,(H2,26,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons				Bioorg Med Chem Lett 14: 1693-6 (2004) BindingDB Entry DOI: 10.7270/Q23B6294
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50344786 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES N[C@@H](CC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H21ClF3N3O2/c22-15-3-1-2-13(6-15)11-27-4-5-28(12-21(27)30)20(29)9-16(26)7-14-8-18(24)19(25)10-17(14)23/h1-3,6,8,10,16H,4-5,7,9,11-12,26H2/t16-/m1/s1	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	26.7	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair

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