Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'currier' and Initial = 'ea'   

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))	BDBM29100 (dibenzothiazepine, 12h) Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(F)c(Cl)c1 |c:19| Show InChI InChI=1S/C24H20ClFN2OS/c1-2-3-12-27-24(29)16-9-11-22-20(14-16)28-23(15-8-10-19(26)18(25)13-15)17-6-4-5-7-21(17)30-22/h4-11,13-14H,2-3,12H2,1H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	-54.8	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29098 (dibenzothiazepine, 12e) Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1 |c:19| Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)17-10-13-22-20(15-17)27-23(16-8-11-18(25)12-9-16)19-6-4-5-7-21(19)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	-54.8	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29096 (dibenzothiazepine, 12b) Show SMILES Clc1cccc(CNC(=O)c2ccc3Sc4ccccc4C(=Nc3c2)N2CCCCC2)c1 |c:22| Show InChI InChI=1S/C26H24ClN3OS/c27-20-8-6-7-18(15-20)17-28-26(31)19-11-12-24-22(16-19)29-25(30-13-4-1-5-14-30)21-9-2-3-10-23(21)32-24/h2-3,6-12,15-16H,1,4-5,13-14,17H2,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.320	-53.6	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29097 (dibenzothiazepine, 12c) Show SMILES FC1(F)CCN(CC1)C1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCc1cccc(Cl)c1 |t:9| Show InChI InChI=1S/C26H22ClF2N3OS/c27-19-5-3-4-17(14-19)16-30-25(33)18-8-9-23-21(15-18)31-24(20-6-1-2-7-22(20)34-23)32-12-10-26(28,29)11-13-32/h1-9,14-15H,10-13,16H2,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.790	-51.4	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29101 (dibenzothiazepine, 12j) Show SMILES CC(C)CNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)s1 |c:19| Show InChI InChI=1S/C22H19ClN2OS2/c1-13(2)12-24-22(26)14-7-8-18-16(11-14)25-21(19-9-10-20(23)28-19)15-5-3-4-6-17(15)27-18/h3-11,13H,12H2,1-2H3,(H,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	1.20	-50.4	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29102 (dibenzothiazepine, 12k) Show SMILES CC(C)CCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccn1 |c:20| Show InChI InChI=1S/C24H23N3OS/c1-16(2)12-14-26-24(28)17-10-11-22-20(15-17)27-23(19-8-5-6-13-25-19)18-7-3-4-9-21(18)29-22/h3-11,13,15-16H,12,14H2,1-2H3,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	1.60	-49.7	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29095 (dibenzothiazepine, 12a) Show SMILES O=C(NN1CCCCC1)c1ccc2Sc3ccccc3C(=Nc2c1)C1CCCCC1 |c:22| Show InChI InChI=1S/C25H29N3OS/c29-25(27-28-15-7-2-8-16-28)19-13-14-23-21(17-19)26-24(18-9-3-1-4-10-18)20-11-5-6-12-22(20)30-23/h5-6,11-14,17-18H,1-4,7-10,15-16H2,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	3	-48.2	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29094 ((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...) Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18| Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)	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	3	-48.2	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29099 (dibenzothiazepine, 12g) Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccc1Cl |c:19| Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)16-12-13-22-20(15-16)27-23(17-8-4-6-10-19(17)25)18-9-5-7-11-21(18)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	-43.0	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29103 (dibenzothiazepine, 13) Show SMILES CCCC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1 |c:17| Show InChI InChI=1S/C23H18ClNOS/c1-2-5-20(26)16-10-13-22-19(14-16)25-23(15-8-11-17(24)12-9-15)18-6-3-4-7-21(18)27-22/h3-4,6-14H,2,5H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	-41.8	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	398	-36.2	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM29100 (dibenzothiazepine, 12h) Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(F)c(Cl)c1 |c:19| Show InChI InChI=1S/C24H20ClFN2OS/c1-2-3-12-27-24(29)16-9-11-22-20(14-16)28-23(15-8-10-19(26)18(25)13-15)17-6-4-5-7-21(17)30-22/h4-11,13-14H,2-3,12H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	-33.9	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM29097 (dibenzothiazepine, 12c) Show SMILES FC1(F)CCN(CC1)C1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCc1cccc(Cl)c1 |t:9| Show InChI InChI=1S/C26H22ClF2N3OS/c27-19-5-3-4-17(14-19)16-30-25(33)18-8-9-23-21(15-18)31-24(20-6-1-2-7-22(20)34-23)32-12-10-26(28,29)11-13-32/h1-9,14-15H,10-13,16H2,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.26E+3	-33.3	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM29094 ((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...) Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18| Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+3	-32.2	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM29099 (dibenzothiazepine, 12g) Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccc1Cl |c:19| Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)16-12-13-22-20(15-16)27-23(17-8-4-6-10-19(17)25)18-9-5-7-11-21(18)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.01E+3	-29.9	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X2 (Homo sapiens (Human))	BDBM50413340 (CHEMBL505715) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C81H113N19O19S2/c1-46(103)67-80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(79(116)90-56(81(118)119)30-15-18-34-84)45-121-120-44-64(98-68(105)53-31-19-35-86-53)78(115)89-54(28-13-16-32-82)69(106)94-61(40-66(85)104)75(112)92-57(36-47-20-5-2-6-21-47)71(108)91-58(37-48-22-7-3-8-23-48)72(109)93-60(39-50-41-87-52-27-12-11-26-51(50)52)74(111)88-55(70(107)100-67)29-14-17-33-83/h2-12,20-27,41,46,53-65,67,86-87,101-103H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55-,56+,57+,58+,59-,60?,61+,62?,63+,64+,65+,67?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human MrgX2 receptor				Bioorg Med Chem Lett 19: 1729-32 (2009) Article DOI: 10.1016/j.bmcl.2009.01.085 BindingDB Entry DOI: 10.7270/Q29S1S8T
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM29101 (dibenzothiazepine, 12j) Show SMILES CC(C)CNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)s1 |c:19| Show InChI InChI=1S/C22H19ClN2OS2/c1-13(2)12-24-22(26)14-7-8-18-16(11-14)25-21(19-9-10-20(23)28-19)15-5-3-4-6-17(15)27-18/h3-11,13H,12H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM29102 (dibenzothiazepine, 12k) Show SMILES CC(C)CCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccn1 |c:20| Show InChI InChI=1S/C24H23N3OS/c1-16(2)12-14-26-24(28)17-10-11-22-20(15-17)27-23(19-8-5-6-13-25-19)18-7-3-4-9-21(18)29-22/h3-11,13,15-16H,12,14H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM29095 (dibenzothiazepine, 12a) Show SMILES O=C(NN1CCCCC1)c1ccc2Sc3ccccc3C(=Nc2c1)C1CCCCC1 |c:22| Show InChI InChI=1S/C25H29N3OS/c29-25(27-28-15-7-2-8-16-28)19-13-14-23-21(17-19)26-24(18-9-3-1-4-10-18)20-11-5-6-12-22(20)30-23/h5-6,11-14,17-18H,1-4,7-10,15-16H2,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM29096 (dibenzothiazepine, 12b) Show SMILES Clc1cccc(CNC(=O)c2ccc3Sc4ccccc4C(=Nc3c2)N2CCCCC2)c1 |c:22| Show InChI InChI=1S/C26H24ClN3OS/c27-20-8-6-7-18(15-20)17-28-26(31)19-11-12-24-22(16-19)29-25(30-13-4-1-5-14-30)21-9-2-3-10-23(21)32-24/h2-3,6-12,15-16H,1,4-5,13-14,17H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM29098 (dibenzothiazepine, 12e) Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1 |c:19| Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)17-10-13-22-20(15-17)27-23(16-8-11-18(25)12-9-16)19-6-4-5-7-21(19)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50412708 (AC-264613 | CHEMBL494502) Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1 |r,w:2.2| Show InChI InChI=1S/C19H18BrN3O2/c1-12(14-8-5-9-15(20)10-14)22-23-19(25)17-16(11-21-18(17)24)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3,(H,21,24)(H,23,25)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31.6	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50412708 (AC-264613 | CHEMBL494502) Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1 |r,w:2.2| Show InChI InChI=1S/C19H18BrN3O2/c1-12(14-8-5-9-15(20)10-14)22-23-19(25)17-16(11-21-18(17)24)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3,(H,21,24)(H,23,25)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414757 (CHEMBL572454) Show SMILES CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C24H28N2O2/c1-26(2)16-15-22(21-14-13-18-9-7-8-12-20(18)17-21)25-24(27)23(28-3)19-10-5-4-6-11-19/h4-14,17,22-23H,15-16H2,1-3H3,(H,25,27)/t22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	741	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414758 (CHEMBL574305) Show SMILES CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C24H28N2O2/c1-26(2)16-15-22(21-14-13-18-9-7-8-12-20(18)17-21)25-24(27)23(28-3)19-10-5-4-6-11-19/h4-14,17,22-23H,15-16H2,1-3H3,(H,25,27)/t22-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414759 (CHEMBL574304) Show SMILES CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C20H25ClN2O2/c1-23(2)14-13-18(15-9-11-17(21)12-10-15)22-20(24)19(25-3)16-7-5-4-6-8-16/h4-12,18-19H,13-14H2,1-3H3,(H,22,24)/t18-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	871	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414760 (CHEMBL573837) Show SMILES CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C20H25ClN2O2/c1-23(2)14-13-18(15-9-11-17(21)12-10-15)22-20(24)19(25-3)16-7-5-4-6-8-16/h4-12,18-19H,13-14H2,1-3H3,(H,22,24)/t18-,19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414761 (CHEMBL573836) Show SMILES CN(C)CCCC(NC(=O)c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H23ClN2O/c1-22(2)14-6-9-18(15-10-12-17(20)13-11-15)21-19(23)16-7-4-3-5-8-16/h3-5,7-8,10-13,18H,6,9,14H2,1-2H3,(H,21,23)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414762 (CHEMBL576746) Show SMILES CN(C)CCCC(NC(=O)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H27ClN2O/c1-28(2)18-6-9-24(21-14-16-23(26)17-15-21)27-25(29)22-12-10-20(11-13-22)19-7-4-3-5-8-19/h3-5,7-8,10-17,24H,6,9,18H2,1-2H3,(H,27,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414763 (CHEMBL572467) Show SMILES Clc1ccc(cc1)C(CCN1CCCCC1)NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H29ClN2O/c28-25-15-13-23(14-16-25)26(17-20-30-18-5-2-6-19-30)29-27(31)24-11-9-22(10-12-24)21-7-3-1-4-8-21/h1,3-4,7-16,26H,2,5-6,17-20H2,(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	661	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414764 (CHEMBL578853) Show SMILES CN(C)CCC(NC(=O)c1ccc(cc1)-c1ccc2ccccc2c1)c1ccc2ccccc2c1 Show InChI InChI=1S/C32H30N2O/c1-34(2)20-19-31(30-18-14-24-8-4-6-10-28(24)22-30)33-32(35)26-15-11-25(12-16-26)29-17-13-23-7-3-5-9-27(23)21-29/h3-18,21-22,31H,19-20H2,1-2H3,(H,33,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	525	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414765 (CHEMBL578654) Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)NC(CCN(C)C)c1ccc2ccccc2c1 Show InChI InChI=1S/C29H30N2O2/c1-31(2)19-18-28(26-13-10-21-6-4-5-7-25(21)20-26)30-29(32)24-11-8-22(9-12-24)23-14-16-27(33-3)17-15-23/h4-17,20,28H,18-19H2,1-3H3,(H,30,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	105	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414766 (CHEMBL572439) Show SMILES CN(C)CCC(NC(=O)c1ccc(cc1)-c1ccc(Cl)cc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H27ClN2O/c1-31(2)18-17-27(25-12-9-20-5-3-4-6-24(20)19-25)30-28(32)23-10-7-21(8-11-23)22-13-15-26(29)16-14-22/h3-16,19,27H,17-18H2,1-2H3,(H,30,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	43.6	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM85517 (CAS_171436-38-7 | SL-NH2 | SLIGRL-NH2) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r| Show InChI InChI=1S/C29H56N10O7/c1-7-17(6)23(39-27(45)21(12-16(4)5)38-25(43)18(30)14-40)28(46)35-13-22(41)36-19(9-8-10-34-29(32)33)26(44)37-20(24(31)42)11-15(2)3/h15-21,23,40H,7-14,30H2,1-6H3,(H2,31,42)(H,35,46)(H,36,41)(H,37,44)(H,38,43)(H,39,45)(H4,32,33,34)/t17-,18-,19-,20-,21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50412709 (CHEMBL461639) Show SMILES [#6]\[#6](-[#6])=[#6]\[#7]-1-[#6]-[#6@H](-[#6@H](-[#6](=O)-[#7]-[#7]=[#6](-[#6])-c2cccc(Br)c2)-[#6]1=O)-c1ccccc1 |r,w:11.10| Show InChI InChI=1S/C23H24BrN3O2/c1-15(2)13-27-14-20(17-8-5-4-6-9-17)21(23(27)29)22(28)26-25-16(3)18-10-7-11-19(24)12-18/h4-13,20-21H,14H2,1-3H3,(H,26,28)/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50.1	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50412710 (CHEMBL459724) Show SMILES CN(N=C(C)c1cccc(Br)c1)C(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1 |r,w:2.1| Show InChI InChI=1S/C20H20BrN3O2/c1-13(15-9-6-10-16(21)11-15)23-24(2)20(26)18-17(12-22-19(18)25)14-7-4-3-5-8-14/h3-11,17-18H,12H2,1-2H3,(H,22,25)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50412711 (CHEMBL459723) Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1cccc(Br)c1)c1cccc(Br)c1 |r,w:2.2| Show InChI InChI=1S/C19H17Br2N3O2/c1-11(12-4-2-6-14(20)8-12)23-24-19(26)17-16(10-22-18(17)25)13-5-3-7-15(21)9-13/h2-9,16-17H,10H2,1H3,(H,22,25)(H,24,26)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50412712 (CHEMBL459509) Show SMILES Brc1ccc2CCC(=NNC(=O)[C@H]3[C@@H](CNC3=O)c3ccccc3)c2c1 |r,w:8.8| Show InChI InChI=1S/C20H18BrN3O2/c21-14-8-6-13-7-9-17(15(13)10-14)23-24-20(26)18-16(11-22-19(18)25)12-4-2-1-3-5-12/h1-6,8,10,16,18H,7,9,11H2,(H,22,25)(H,24,26)/t16-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	126	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50412713 (CHEMBL493704) Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1ccc(Br)s1 |r,w:2.2| Show InChI InChI=1S/C17H16BrN3O2S/c1-10(13-7-8-14(18)24-13)20-21-17(23)15-12(9-19-16(15)22)11-5-3-2-4-6-11/h2-8,12,15H,9H2,1H3,(H,19,22)(H,21,23)/t12-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50412714 (CHEMBL493494) Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1ccccc1Br |r,w:2.2| Show InChI InChI=1S/C19H18BrN3O2/c1-12(14-9-5-6-10-16(14)20)22-23-19(25)17-15(11-21-18(17)24)13-7-3-2-4-8-13/h2-10,15,17H,11H2,1H3,(H,21,24)(H,23,25)/t15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50412715 (CHEMBL494503) Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1ccc(Br)cc1 |r,w:2.2| Show InChI InChI=1S/C19H18BrN3O2/c1-12(13-7-9-15(20)10-8-13)22-23-19(25)17-16(11-21-18(17)24)14-5-3-2-4-6-14/h2-10,16-17H,11H2,1H3,(H,21,24)(H,23,25)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50412708 (AC-264613 | CHEMBL494502) Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccc(Br)c1 |r,w:2.2| Show InChI InChI=1S/C19H18BrN3O2/c1-12(14-8-5-9-15(20)10-14)22-23-19(25)17-16(11-21-18(17)24)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3,(H,21,24)(H,23,25)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31.6	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50412716 (AC-98170 | CHEMBL494303) Show SMILES CC(=NNC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)c1cccs1 |r,w:2.2| Show InChI InChI=1S/C17H17N3O2S/c1-11(14-8-5-9-23-14)19-20-17(22)15-13(10-18-16(15)21)12-6-3-2-4-7-12/h2-9,13,15H,10H2,1H3,(H,18,21)(H,20,22)/t13-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50412717 (AC-55541 | CHEMBL493076) Show SMILES CC(=NNC(=O)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1cccc(Br)c1 |w:2.2| Show InChI InChI=1S/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50412718 (CHEMBL509819) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-c1ccco1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C36H63N11O8/c1-7-22(6)29(47-33(52)26(18-21(4)5)46-34(53)27-13-10-16-55-27)35(54)42-19-28(48)43-24(12-9-15-41-36(39)40)31(50)45-25(17-20(2)3)32(51)44-23(30(38)49)11-8-14-37/h10,13,16,20-26,29H,7-9,11-12,14-15,17-19,37H2,1-6H3,(H2,38,49)(H,42,54)(H,43,48)(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,39,40,41)/t22-,23-,24-,25-,26-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay				J Med Chem 51: 5490-3 (2008) Article DOI: 10.1021/jm800754r BindingDB Entry DOI: 10.7270/Q290251P
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414767 (CHEMBL574527) Show SMILES CN(C)CCC(NC(=O)c1ccc(cc1)-c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H28N2O/c1-30(2)19-18-27(26-17-14-22-10-6-7-11-25(22)20-26)29-28(31)24-15-12-23(13-16-24)21-8-4-3-5-9-21/h3-17,20,27H,18-19H2,1-2H3,(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414768 (CHEMBL572423) Show SMILES CN(C)CCC(NC(=O)c1cccc(c1)-c1ccc2ccccc2c1)c1ccc2ccccc2c1 Show InChI InChI=1S/C32H30N2O/c1-34(2)19-18-31(29-17-15-24-9-4-6-11-26(24)21-29)33-32(35)30-13-7-12-27(22-30)28-16-14-23-8-3-5-10-25(23)20-28/h3-17,20-22,31H,18-19H2,1-2H3,(H,33,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414769 (CHEMBL573574) Show SMILES COc1ccc(cc1)-c1cccc(c1)C(=O)NC(CCN(C)C)c1ccc2ccccc2c1 Show InChI InChI=1S/C29H30N2O2/c1-31(2)18-17-28(25-12-11-21-7-4-5-8-23(21)19-25)30-29(32)26-10-6-9-24(20-26)22-13-15-27(33-3)16-14-22/h4-16,19-20,28H,17-18H2,1-3H3,(H,30,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	646	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair
Urotensin-2 (Homo sapiens (Human))	BDBM50414770 (CHEMBL574726) Show SMILES CN(C)CCC(NC(=O)c1cccc(c1)-c1ccc(Cl)cc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H27ClN2O/c1-31(2)17-16-27(24-11-10-20-6-3-4-7-22(20)18-24)30-28(32)25-9-5-8-23(19-25)21-12-14-26(29)15-13-21/h3-15,18-19,27H,16-17H2,1-2H3,(H,30,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT ass...				Bioorg Med Chem 17: 4657-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.062 BindingDB Entry DOI: 10.7270/Q20866J9
					More data for this Ligand-Target Pair

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