Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'pham' and Initial = 'q'   

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
Translocator protein (Rattus norvegicus (rat))	BDBM50243005 (2-(6-Chloro-2-(4-(2-fluoroethoxy)phenyl)imidazo[1,...) Show SMILES CCN(CC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(OCCF)cc1 Show InChI InChI=1S/C21H23ClFN3O2/c1-3-25(4-2)20(27)13-18-21(24-19-10-7-16(22)14-26(18)19)15-5-8-17(9-6-15)28-12-11-23/h5-10,14H,3-4,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Ro 5-4864 from peripheral benzodiazepine receptor in rat kidney membrane				J Med Chem 51: 3700-12 (2008) Article DOI: 10.1021/jm7014556 BindingDB Entry DOI: 10.7270/Q2Z037ZW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50243006 (2-(6-Chloro-2-(4-(3-fluoropropoxy)phenyl)imidazo[1...) Show SMILES CCN(CC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(OCCCF)cc1 Show InChI InChI=1S/C22H25ClFN3O2/c1-3-26(4-2)21(28)14-19-22(25-20-11-8-17(23)15-27(19)20)16-6-9-18(10-7-16)29-13-5-12-24/h6-11,15H,3-5,12-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in rat kidney membrane				J Med Chem 51: 3700-12 (2008) Article DOI: 10.1021/jm7014556 BindingDB Entry DOI: 10.7270/Q2Z037ZW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50243008 (CHEMBL469682 | N,N-Diethyl-2-(2-(4-(3-fluoropropox...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCCF)cc1 Show InChI InChI=1S/C23H29FN4O2/c1-5-27(6-2)21(29)15-20-22(26-28-17(4)14-16(3)25-23(20)28)18-8-10-19(11-9-18)30-13-7-12-24/h8-11,14H,5-7,12-13,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in rat kidney membrane				J Med Chem 51: 3700-12 (2008) Article DOI: 10.1021/jm7014556 BindingDB Entry DOI: 10.7270/Q2Z037ZW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50243006 (2-(6-Chloro-2-(4-(3-fluoropropoxy)phenyl)imidazo[1...) Show SMILES CCN(CC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(OCCCF)cc1 Show InChI InChI=1S/C22H25ClFN3O2/c1-3-26(4-2)21(28)14-19-22(25-20-11-8-17(23)15-27(19)20)16-6-9-18(10-7-16)29-13-5-12-24/h6-11,15H,3-5,12-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Ro 5-4864 from peripheral benzodiazepine receptor in rat kidney membrane				J Med Chem 51: 3700-12 (2008) Article DOI: 10.1021/jm7014556 BindingDB Entry DOI: 10.7270/Q2Z037ZW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50243007 (2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1 Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in rat kidney membrane				J Med Chem 51: 3700-12 (2008) Article DOI: 10.1021/jm7014556 BindingDB Entry DOI: 10.7270/Q2Z037ZW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50243007 (2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1 Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Ro 5-4864 from peripheral benzodiazepine receptor in rat kidney membrane				J Med Chem 51: 3700-12 (2008) Article DOI: 10.1021/jm7014556 BindingDB Entry DOI: 10.7270/Q2Z037ZW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50243008 (CHEMBL469682 | N,N-Diethyl-2-(2-(4-(3-fluoropropox...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCCF)cc1 Show InChI InChI=1S/C23H29FN4O2/c1-5-27(6-2)21(29)15-20-22(26-28-17(4)14-16(3)25-23(20)28)18-8-10-19(11-9-18)30-13-7-12-24/h8-11,14H,5-7,12-13,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Ro 5-4864 from peripheral benzodiazepine receptor in rat kidney membrane				J Med Chem 51: 3700-12 (2008) Article DOI: 10.1021/jm7014556 BindingDB Entry DOI: 10.7270/Q2Z037ZW
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50243005 (2-(6-Chloro-2-(4-(2-fluoroethoxy)phenyl)imidazo[1,...) Show SMILES CCN(CC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(OCCF)cc1 Show InChI InChI=1S/C21H23ClFN3O2/c1-3-25(4-2)20(27)13-18-21(24-19-10-7-16(22)14-26(18)19)15-5-8-17(9-6-15)28-12-11-23/h5-10,14H,3-4,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in rat kidney membrane				J Med Chem 51: 3700-12 (2008) Article DOI: 10.1021/jm7014556 BindingDB Entry DOI: 10.7270/Q2Z037ZW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50217008 (CHEMBL230904 | N-(1-(2-fluoroethyl)piperidin-4-yl)...) Show SMILES FCCN1CCN(CCNC(=O)c2ccc(I)cc2)CC1 Show InChI InChI=1S/C15H21FIN3O/c16-5-7-19-9-11-20(12-10-19)8-6-18-15(21)13-1-3-14(17)4-2-13/h1-4H,5-12H2,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 3561-72 (2007) Article DOI: 10.1021/jm0701627 BindingDB Entry DOI: 10.7270/Q27H1JBF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50217012 (CHEMBL231120 | N-(4-(2-azanorborn-2-yl)butyl)-4-io...) Show SMILES Ic1ccc(cc1)C(=O)NCCCCNN1CC2CCC1C2 |w:17.23,20.22| Show InChI InChI=1S/C17H24IN3O/c18-15-6-4-14(5-7-15)17(22)19-9-1-2-10-20-21-12-13-3-8-16(21)11-13/h4-7,13,16,20H,1-3,8-12H2,(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 3561-72 (2007) Article DOI: 10.1021/jm0701627 BindingDB Entry DOI: 10.7270/Q27H1JBF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50217015 (CHEMBL231119 | N-(1-(2-hydroxyethyl)piperidin-4-yl...) Show SMILES OCCN1CCN(CCNC(=O)c2ccc(I)cc2)CC1 Show InChI InChI=1S/C15H22IN3O2/c16-14-3-1-13(2-4-14)15(21)17-5-6-18-7-9-19(10-8-18)11-12-20/h1-4,20H,5-12H2,(H,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 3561-72 (2007) Article DOI: 10.1021/jm0701627 BindingDB Entry DOI: 10.7270/Q27H1JBF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50217014 (CHEMBL230903 | N-(2-(diethylamino)ethyl)-5-iodo-2-...) Show SMILES CCN(CC)CCNC(=O)c1cc(I)c(NS(=O)(=O)c2ccc(C)cc2)cc1OC Show InChI InChI=1S/C21H28IN3O4S/c1-5-25(6-2)12-11-23-21(26)17-13-18(22)19(14-20(17)29-4)24-30(27,28)16-9-7-15(3)8-10-16/h7-10,13-14,24H,5-6,11-12H2,1-4H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 3561-72 (2007) Article DOI: 10.1021/jm0701627 BindingDB Entry DOI: 10.7270/Q27H1JBF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50217009 (4-acetamido-N-(4-(2-azanorborn-2-yl)butyl)-5-iodo-...) Show SMILES COc1cc(NC(C)=O)c(I)cc1C(=O)NCCCCNN1CC2CCC1C2 |w:26.26,23.23,TLB:20:21:25.24:27| Show InChI InChI=1S/C20H29IN4O3/c1-13(26)24-18-11-19(28-2)16(10-17(18)21)20(27)22-7-3-4-8-23-25-12-14-5-6-15(25)9-14/h10-11,14-15,23H,3-9,12H2,1-2H3,(H,22,27)(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 3561-72 (2007) Article DOI: 10.1021/jm0701627 BindingDB Entry DOI: 10.7270/Q27H1JBF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50217013 (CHEMBL230692 | N-(2-(diethylamino)ethyl)-5-iodo-2-...) Show SMILES CCN(CC)CCNC(=O)c1cc(I)c(NS(C)(=O)=O)cc1OC Show InChI InChI=1S/C15H24IN3O4S/c1-5-19(6-2)8-7-17-15(20)11-9-12(16)13(10-14(11)23-3)18-24(4,21)22/h9-10,18H,5-8H2,1-4H3,(H,17,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 3561-72 (2007) Article DOI: 10.1021/jm0701627 BindingDB Entry DOI: 10.7270/Q27H1JBF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50217018 (CHEMBL395005 | N-(4-(dipropylamino)butyl)-4-iodobe...) Show SMILES CCCN(CCC)CCCCNC(=O)c1ccc(I)cc1 Show InChI InChI=1S/C17H27IN2O/c1-3-12-20(13-4-2)14-6-5-11-19-17(21)15-7-9-16(18)10-8-15/h7-10H,3-6,11-14H2,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 3561-72 (2007) Article DOI: 10.1021/jm0701627 BindingDB Entry DOI: 10.7270/Q27H1JBF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50217010 (4-acetamido-N-(4-(N-butyl-N-methylamino)butyl)-5-i...) Show SMILES CCCCN(C)CCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC Show InChI InChI=1S/C19H30IN3O3/c1-5-6-10-23(3)11-8-7-9-21-19(25)15-12-16(20)17(22-14(2)24)13-18(15)26-4/h12-13H,5-11H2,1-4H3,(H,21,25)(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 3561-72 (2007) Article DOI: 10.1021/jm0701627 BindingDB Entry DOI: 10.7270/Q27H1JBF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50092740 (4-Acetylamino-N-(2-diethylamino-ethyl)-5-iodo-2-me...) Show SMILES CCN(CC)CCNC(=O)c1cc(I)c(NC(C)=O)cc1OC Show InChI InChI=1S/C16H24IN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 3561-72 (2007) Article DOI: 10.1021/jm0701627 BindingDB Entry DOI: 10.7270/Q27H1JBF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50217011 (4-acetamido-N-(4-(butylamino)butyl)-5-iodo-2-metho...) Show SMILES CCCCNCCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC Show InChI InChI=1S/C18H28IN3O3/c1-4-5-8-20-9-6-7-10-21-18(24)14-11-15(19)16(22-13(2)23)12-17(14)25-3/h11-12,20H,4-10H2,1-3H3,(H,21,24)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 3561-72 (2007) Article DOI: 10.1021/jm0701627 BindingDB Entry DOI: 10.7270/Q27H1JBF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50217016 (4-acetamido-N-(4-(N-isopropyl-N-methylamino)butyl)...) Show SMILES COc1cc(NC(C)=O)c(I)cc1C(=O)NCCCCN(C)C(C)C Show InChI InChI=1S/C18H28IN3O3/c1-12(2)22(4)9-7-6-8-20-18(24)14-10-15(19)16(21-13(3)23)11-17(14)25-5/h10-12H,6-9H2,1-5H3,(H,20,24)(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 3561-72 (2007) Article DOI: 10.1021/jm0701627 BindingDB Entry DOI: 10.7270/Q27H1JBF
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50418183 (CHEMBL1761688) Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C21H26F3N3O3/c1-12(2)25-11-17-18(20(29)26-15-4-3-5-16(28)10-15)27-30-19(17)13-6-8-14(9-7-13)21(22,23)24/h6-9,12,15-16,25,28H,3-5,10-11H2,1-2H3,(H,26,29)/t15-,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	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled-dofetilide from human ERG				Bioorg Med Chem Lett 21: 4652-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.051 BindingDB Entry DOI: 10.7270/Q2M32X1M
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50217017 (4-acetamido-N-(4-(dipropylamino)butyl)-5-iodo-2-me...) Show SMILES CCCN(CCC)CCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC Show InChI InChI=1S/C20H32IN3O3/c1-5-10-24(11-6-2)12-8-7-9-22-20(26)16-13-17(21)18(23-15(3)25)14-19(16)27-4/h13-14H,5-12H2,1-4H3,(H,22,26)(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radiopharmaceuticals Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				J Med Chem 50: 3561-72 (2007) Article DOI: 10.1021/jm0701627 BindingDB Entry DOI: 10.7270/Q27H1JBF
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50336144 ((1R,3S)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(tri...) Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-2-1-3-12(24)8-11)23-26-15(13)9-4-6-10(7-5-9)17(19,20)21/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/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	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 21: 4652-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.051 BindingDB Entry DOI: 10.7270/Q2M32X1M
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50418961 (CHEMBL1807877) Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C16H15Cl2FN2O3/c17-11-5-4-8(6-12(11)19)15-13(18)14(21-24-15)16(23)20-9-2-1-3-10(22)7-9/h4-6,9-10,22H,1-3,7H2,(H,20,23)/t9-,10+/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	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 21: 4652-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.051 BindingDB Entry DOI: 10.7270/Q2M32X1M
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50418959 (CHEMBL1807875) Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C17H15ClF4N2O3/c18-13-14(16(26)23-9-2-1-3-10(25)7-9)24-27-15(13)8-4-5-11(12(19)6-8)17(20,21)22/h4-6,9-10,25H,1-3,7H2,(H,23,26)/t9-,10+/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	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 21: 4652-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.051 BindingDB Entry DOI: 10.7270/Q2M32X1M
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50299378 (CHEMBL575340 | N4-(2,3-dihydro-1H-inden-2-yl)-2-(p...) Show SMILES C1C(Cc2ccccc12)Nc1cc(Nc2ccncc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)26-21-15-20(25-18-5-7-23-8-6-18)27-22(28-21)29-11-9-24-10-12-29/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 by IMAP assay				Bioorg Med Chem Lett 19: 6027-31 (2009) Article DOI: 10.1016/j.bmcl.2009.09.046 BindingDB Entry DOI: 10.7270/Q2668D7P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50418981 (CHEMBL1807878) Show SMILES Cc1c(noc1-c1ccc(c(F)c1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C18H18F4N2O3/c1-9-15(17(26)23-11-3-2-4-12(25)8-11)24-27-16(9)10-5-6-13(14(19)7-10)18(20,21)22/h5-7,11-12,25H,2-4,8H2,1H3,(H,23,26)/t11-,12+/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	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 21: 4652-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.051 BindingDB Entry DOI: 10.7270/Q2M32X1M
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50336144 ((1R,3S)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(tri...) Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-2-1-3-12(24)8-11)23-26-15(13)9-4-6-10(7-5-9)17(19,20)21/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay				Bioorg Med Chem Lett 21: 892-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.092 BindingDB Entry DOI: 10.7270/Q2K074JC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50418965 (CHEMBL1807883) Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1onc(c1Cl)-c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C16H15Cl2FN2O3/c17-11-5-4-8(6-12(11)19)14-13(18)15(24-21-14)16(23)20-9-2-1-3-10(22)7-9/h4-6,9-10,22H,1-3,7H2,(H,20,23)/t9-,10+/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	3.16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 21: 4652-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.051 BindingDB Entry DOI: 10.7270/Q2M32X1M
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50418964 (CHEMBL1807882) Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1onc(c1Cl)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(9-4-6-10(7-5-9)17(19,20)21)23-26-15(13)16(25)22-11-2-1-3-12(24)8-11/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/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	3.98	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 21: 4652-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.051 BindingDB Entry DOI: 10.7270/Q2M32X1M
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50418960 (CHEMBL1807876) Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H16Cl2N2O3/c17-10-6-4-9(5-7-10)15-13(18)14(20-23-15)16(22)19-11-2-1-3-12(21)8-11/h4-7,11-12,21H,1-3,8H2,(H,19,22)/t11-,12+/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	5.01	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 21: 4652-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.051 BindingDB Entry DOI: 10.7270/Q2M32X1M
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50299360 (CHEMBL575741 | N2-(2,3-dihydro-1H-inden-2-yl)-6-(p...) Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C21H24N8/c1-2-4-16-14-18(13-15(16)3-1)25-20-26-19(24-17-5-7-22-8-6-17)27-21(28-20)29-11-9-23-10-12-29/h1-8,18,23H,9-14H2,(H2,22,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 by IMAP assay				Bioorg Med Chem Lett 19: 6027-31 (2009) Article DOI: 10.1016/j.bmcl.2009.09.046 BindingDB Entry DOI: 10.7270/Q2668D7P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50336143 ((1S,3R)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(tri...) Show SMILES O[C@@H]1CCC[C@@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-2-1-3-12(24)8-11)23-26-15(13)9-4-6-10(7-5-9)17(19,20)21/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/m0/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
Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay				Bioorg Med Chem Lett 21: 892-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.092 BindingDB Entry DOI: 10.7270/Q2K074JC
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50299366 (4-(2,3-dihydro-1H-inden-2-yloxy)-6-(piperazin-1-yl...) Show SMILES C1C(Cc2ccccc12)Oc1nc(Nc2ccncc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C21H23N7O/c1-2-4-16-14-18(13-15(16)3-1)29-21-26-19(24-17-5-7-22-8-6-17)25-20(27-21)28-11-9-23-10-12-28/h1-8,18,23H,9-14H2,(H,22,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 by IMAP assay				Bioorg Med Chem Lett 19: 6027-31 (2009) Article DOI: 10.1016/j.bmcl.2009.09.046 BindingDB Entry DOI: 10.7270/Q2668D7P
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50299374 ((R)-N2-(2,3-dihydro-1H-inden-2-yl)-6-(3-methylpipe...) Show SMILES C[C@@H]1CN(CCN1)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r| Show InChI InChI=1S/C22H26N8/c1-15-14-30(11-10-24-15)22-28-20(25-18-6-8-23-9-7-18)27-21(29-22)26-19-12-16-4-2-3-5-17(16)13-19/h2-9,15,19,24H,10-14H2,1H3,(H2,23,25,26,27,28,29)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 by IMAP assay				Bioorg Med Chem Lett 19: 6027-31 (2009) Article DOI: 10.1016/j.bmcl.2009.09.046 BindingDB Entry DOI: 10.7270/Q2668D7P
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50299372 (6-(1,4-diazepan-1-yl)-N2-(2,3-dihydro-1H-inden-2-y...) Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCCNCC1 Show InChI InChI=1S/C22H26N8/c1-2-5-17-15-19(14-16(17)4-1)26-21-27-20(25-18-6-9-24-10-7-18)28-22(29-21)30-12-3-8-23-11-13-30/h1-2,4-7,9-10,19,23H,3,8,11-15H2,(H2,24,25,26,27,28,29)	PDB MMDB NCI pathway 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
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 by IMAP assay				Bioorg Med Chem Lett 19: 6027-31 (2009) Article DOI: 10.1016/j.bmcl.2009.09.046 BindingDB Entry DOI: 10.7270/Q2668D7P
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50299378 (CHEMBL575340 | N4-(2,3-dihydro-1H-inden-2-yl)-2-(p...) Show SMILES C1C(Cc2ccccc12)Nc1cc(Nc2ccncc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)26-21-15-20(25-18-5-7-23-8-6-18)27-22(28-21)29-11-9-24-10-12-29/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)	PDB MMDB NCI pathway 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
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration				Bioorg Med Chem Lett 19: 6027-31 (2009) Article DOI: 10.1016/j.bmcl.2009.09.046 BindingDB Entry DOI: 10.7270/Q2668D7P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50418963 (CHEMBL1807881) Show SMILES CCOc1cc(Cl)ccc1-c1onc(C(=O)NC2CCOCC2)c1C Show InChI InChI=1S/C18H21ClN2O4/c1-3-24-15-10-12(19)4-5-14(15)17-11(2)16(21-25-17)18(22)20-13-6-8-23-9-7-13/h4-5,10,13H,3,6-9H2,1-2H3,(H,20,22)	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	12.6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 21: 4652-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.051 BindingDB Entry DOI: 10.7270/Q2M32X1M
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50418979 (CHEMBL1807879) Show SMILES CCOc1cc(Cl)ccc1-c1onc(C(=O)N[C@@H]2CCC[C@H](O)C2)c1C |r| Show InChI InChI=1S/C19H23ClN2O4/c1-3-25-16-9-12(20)7-8-15(16)18-11(2)17(22-26-18)19(24)21-13-5-4-6-14(23)10-13/h7-9,13-14,23H,3-6,10H2,1-2H3,(H,21,24)/t13-,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	12.6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 21: 4652-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.051 BindingDB Entry DOI: 10.7270/Q2M32X1M
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50299379 (CHEMBL578643 | N4-(2,3-dihydro-1H-inden-2-yl)-6-(p...) Show SMILES C1C(Cc2ccccc12)Nc1cc(nc(Nc2ccncc2)n1)N1CCNCC1 Show InChI InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)25-20-15-21(29-11-9-24-10-12-29)28-22(27-20)26-18-5-7-23-8-6-18/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)	PDB MMDB NCI pathway 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
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 by IMAP assay				Bioorg Med Chem Lett 19: 6027-31 (2009) Article DOI: 10.1016/j.bmcl.2009.09.046 BindingDB Entry DOI: 10.7270/Q2668D7P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50336162 (4-chloro-N-cyclopentyl-5-(4-(trifluoromethyl)pheny...) Show SMILES FC(F)(F)c1ccc(cc1)-c1onc(C(=O)NC2CCCC2)c1Cl Show InChI InChI=1S/C16H14ClF3N2O2/c17-12-13(15(23)21-11-3-1-2-4-11)22-24-14(12)9-5-7-10(8-6-9)16(18,19)20/h5-8,11H,1-4H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay				Bioorg Med Chem Lett 21: 892-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.092 BindingDB Entry DOI: 10.7270/Q2K074JC
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50299372 (6-(1,4-diazepan-1-yl)-N2-(2,3-dihydro-1H-inden-2-y...) Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCCNCC1 Show InChI InChI=1S/C22H26N8/c1-2-5-17-15-19(14-16(17)4-1)26-21-27-20(25-18-6-9-24-10-7-18)28-22(29-21)30-12-3-8-23-11-13-30/h1-2,4-7,9-10,19,23H,3,8,11-15H2,(H2,24,25,26,27,28,29)	PDB MMDB NCI pathway 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
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration				Bioorg Med Chem Lett 19: 6027-31 (2009) Article DOI: 10.1016/j.bmcl.2009.09.046 BindingDB Entry DOI: 10.7270/Q2668D7P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50418973 (CHEMBL1807958) Show SMILES CC(C)[C@H](C)NC(=O)c1noc(c1CO)-c1ccc(c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C17H18F4N2O3/c1-8(2)9(3)22-16(25)14-11(7-24)15(26-23-14)10-4-5-12(13(18)6-10)17(19,20)21/h4-6,8-9,24H,7H2,1-3H3,(H,22,25)/t9-/m0/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	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 21: 4652-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.051 BindingDB Entry DOI: 10.7270/Q2M32X1M
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50336140 ((1R,3S)-4-chloro-N-(3-hydroxycyclopentyl)-5-(4-(tr...) Show SMILES O[C@H]1CC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C16H14ClF3N2O3/c17-12-13(15(24)21-10-5-6-11(23)7-10)22-25-14(12)8-1-3-9(4-2-8)16(18,19)20/h1-4,10-11,23H,5-7H2,(H,21,24)/t10-,11+/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay				Bioorg Med Chem Lett 21: 892-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.092 BindingDB Entry DOI: 10.7270/Q2K074JC
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50299364 (6-(piperazin-1-yl)-N2-(pyridin-4-yl)-N4-(1,2,3,4-t...) Show SMILES C1CN(CCN1)c1nc(NC2CCc3ccccc3C2)nc(Nc2ccncc2)n1 Show InChI InChI=1S/C22H26N8/c1-2-4-17-15-19(6-5-16(17)3-1)26-21-27-20(25-18-7-9-23-10-8-18)28-22(29-21)30-13-11-24-12-14-30/h1-4,7-10,19,24H,5-6,11-15H2,(H2,23,25,26,27,28,29)	PDB MMDB NCI pathway 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
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 by IMAP assay				Bioorg Med Chem Lett 19: 6027-31 (2009) Article DOI: 10.1016/j.bmcl.2009.09.046 BindingDB Entry DOI: 10.7270/Q2668D7P
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50299374 ((R)-N2-(2,3-dihydro-1H-inden-2-yl)-6-(3-methylpipe...) Show SMILES C[C@@H]1CN(CCN1)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r| Show InChI InChI=1S/C22H26N8/c1-15-14-30(11-10-24-15)22-28-20(25-18-6-8-23-9-7-18)27-21(29-22)26-19-12-16-4-2-3-5-17(16)13-19/h2-9,15,19,24H,10-14H2,1H3,(H2,23,25,26,27,28,29)/t15-/m1/s1	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration				Bioorg Med Chem Lett 19: 6027-31 (2009) Article DOI: 10.1016/j.bmcl.2009.09.046 BindingDB Entry DOI: 10.7270/Q2668D7P
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50299360 (CHEMBL575741 | N2-(2,3-dihydro-1H-inden-2-yl)-6-(p...) Show SMILES C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCNCC1 Show InChI InChI=1S/C21H24N8/c1-2-4-16-14-18(13-15(16)3-1)25-20-26-19(24-17-5-7-22-8-6-17)27-21(28-20)29-11-9-23-10-12-29/h1-8,18,23H,9-14H2,(H2,22,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration				Bioorg Med Chem Lett 19: 6027-31 (2009) Article DOI: 10.1016/j.bmcl.2009.09.046 BindingDB Entry DOI: 10.7270/Q2668D7P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50418984 (CHEMBL1807959) Show SMILES OCc1c(noc1-c1ccc(c(F)c1)C(F)(F)F)C(=O)NC1CCCC1 Show InChI InChI=1S/C17H16F4N2O3/c18-13-7-9(5-6-12(13)17(19,20)21)15-11(8-24)14(23-26-15)16(25)22-10-3-1-2-4-10/h5-7,10,24H,1-4,8H2,(H,22,25)	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	39.8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 21: 4652-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.051 BindingDB Entry DOI: 10.7270/Q2M32X1M
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50336136 (4-chloro-N-(tetrahydro-2H-pyran-4-yl)-5-(4-(triflu...) Show SMILES FC(F)(F)c1ccc(cc1)-c1onc(C(=O)NC2CCOCC2)c1Cl Show InChI InChI=1S/C16H14ClF3N2O3/c17-12-13(15(23)21-11-5-7-24-8-6-11)22-25-14(12)9-1-3-10(4-2-9)16(18,19)20/h1-4,11H,5-8H2,(H,21,23)	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	43	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay				Bioorg Med Chem Lett 21: 892-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.092 BindingDB Entry DOI: 10.7270/Q2K074JC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50336159 (4-bromo-N-cyclopentyl-5-(4-(trifluoromethyl)phenyl...) Show SMILES FC(F)(F)c1ccc(cc1)-c1onc(C(=O)NC2CCCC2)c1Br Show InChI InChI=1S/C16H14BrF3N2O2/c17-12-13(15(23)21-11-3-1-2-4-11)22-24-14(12)9-5-7-10(8-6-9)16(18,19)20/h5-8,11H,1-4H2,(H,21,23)	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	46	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay				Bioorg Med Chem Lett 21: 892-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.092 BindingDB Entry DOI: 10.7270/Q2K074JC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50336147 (CHEMBL1669535 | cis-(+/-)-4-chloro-N-(2-(hydroxyme...) Show SMILES OC[C@H]1CCCC[C@H]1NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C18H18ClF3N2O3/c19-14-15(17(26)23-13-4-2-1-3-11(13)9-25)24-27-16(14)10-5-7-12(8-6-10)18(20,21)22/h5-8,11,13,25H,1-4,9H2,(H,23,26)/t11-,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	48	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay				Bioorg Med Chem Lett 21: 892-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.092 BindingDB Entry DOI: 10.7270/Q2K074JC
					More data for this Ligand-Target Pair

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