Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50031259   

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 2 (Homo sapiens (Human))	BDBM50310006 ((4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromopheny...) Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C29H24BrCl2N7O/c30-21-10-8-20(9-11-21)28-24(17-38-19-33-18-34-38)27(35-39(28)26-7-2-1-6-25(26)32)29(40)37-14-12-36(13-15-37)23-5-3-4-22(31)16-23/h1-11,16,18-19H,12-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN55,212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane				Bioorg Med Chem 18: 1149-62 (2010) Article DOI: 10.1016/j.bmc.2009.12.040 BindingDB Entry DOI: 10.7270/Q2TD9XG2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50310008 ((4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromopheny...) Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2nn(c(c2Cn2cncn2)-c2ccc(Br)cc2)-c2ccccc2Cl)c1C Show InChI InChI=1S/C31H29BrClN7O/c1-21-6-5-9-27(22(21)2)37-14-16-38(17-15-37)31(41)29-25(18-39-20-34-19-35-39)30(23-10-12-24(32)13-11-23)40(36-29)28-8-4-3-7-26(28)33/h3-13,19-20H,14-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	547	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN55,212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane				Bioorg Med Chem 18: 1149-62 (2010) Article DOI: 10.1016/j.bmc.2009.12.040 BindingDB Entry DOI: 10.7270/Q2TD9XG2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50310007 ((4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromopheny...) Show SMILES Clc1cccc(N2CCN(CC2)C(=O)c2nn(c(c2Cn2cncn2)-c2ccc(Br)cc2)-c2ccccc2Cl)c1Cl Show InChI InChI=1S/C29H23BrCl3N7O/c30-20-10-8-19(9-11-20)28-21(16-39-18-34-17-35-39)27(36-40(28)24-6-2-1-4-22(24)31)29(41)38-14-12-37(13-15-38)25-7-3-5-23(32)26(25)33/h1-11,17-18H,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	582	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN55,212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane				Bioorg Med Chem 18: 1149-62 (2010) Article DOI: 10.1016/j.bmc.2009.12.040 BindingDB Entry DOI: 10.7270/Q2TD9XG2
					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	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN55,212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane				Bioorg Med Chem 18: 1149-62 (2010) Article DOI: 10.1016/j.bmc.2009.12.040 BindingDB Entry DOI: 10.7270/Q2TD9XG2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN55,212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane				Bioorg Med Chem 18: 1149-62 (2010) Article DOI: 10.1016/j.bmc.2009.12.040 BindingDB Entry DOI: 10.7270/Q2TD9XG2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50310001 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H20BrCl3N6O/c1-16-10-19(29)11-23(31)20(16)12-33-27(38)25-21(13-36-15-32-14-34-36)26(17-6-8-18(28)9-7-17)37(35-25)24-5-3-2-4-22(24)30/h2-11,14-15H,12-13H2,1H3,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN55,212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane				Bioorg Med Chem 18: 1149-62 (2010) Article DOI: 10.1016/j.bmc.2009.12.040 BindingDB Entry DOI: 10.7270/Q2TD9XG2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50310003 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Clc1ccc(cc1)C1(CC1)NC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C28H21BrCl2N6O/c29-20-9-5-18(6-10-20)26-22(15-36-17-32-16-33-36)25(35-37(26)24-4-2-1-3-23(24)31)27(38)34-28(13-14-28)19-7-11-21(30)12-8-19/h1-12,16-17H,13-15H2,(H,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN55,212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane				Bioorg Med Chem 18: 1149-62 (2010) Article DOI: 10.1016/j.bmc.2009.12.040 BindingDB Entry DOI: 10.7270/Q2TD9XG2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50310002 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Clc1ccccc1-n1nc(C(=O)NC2CC2c2ccccc2)c(Cn2cncn2)c1-c1ccc(Br)cc1 Show InChI InChI=1S/C28H22BrClN6O/c29-20-12-10-19(11-13-20)27-22(15-35-17-31-16-32-35)26(34-36(27)25-9-5-4-8-23(25)30)28(37)33-24-14-21(24)18-6-2-1-3-7-18/h1-13,16-17,21,24H,14-15H2,(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN55,212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane				Bioorg Med Chem 18: 1149-62 (2010) Article DOI: 10.1016/j.bmc.2009.12.040 BindingDB Entry DOI: 10.7270/Q2TD9XG2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50309989 (4-((1H-1,2,4-Triazol-1-yl)methyl)-1-(2-chloropheny...) Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H20Cl4N6O/c1-16-10-19(29)11-23(31)20(16)12-33-27(38)25-21(13-36-15-32-14-34-36)26(17-6-8-18(28)9-7-17)37(35-25)24-5-3-2-4-22(24)30/h2-11,14-15H,12-13H2,1H3,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN55,212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane				Bioorg Med Chem 18: 1149-62 (2010) Article DOI: 10.1016/j.bmc.2009.12.040 BindingDB Entry DOI: 10.7270/Q2TD9XG2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50309988 (4-((1H-1,2,4-Triazol-1-yl)methyl)-N-(1-(4-bromophe...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21BrCl2N6O/c1-17-12-20(28)9-6-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-7-10-21(29)11-8-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN55,212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane				Bioorg Med Chem 18: 1149-62 (2010) Article DOI: 10.1016/j.bmc.2009.12.040 BindingDB Entry DOI: 10.7270/Q2TD9XG2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50310005 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Clc1ccccc1-n1nc(C(=O)NC2CCCCC2)c(Cn2cncn2)c1-c1ccc(Br)cc1 Show InChI InChI=1S/C25H24BrClN6O/c26-18-12-10-17(11-13-18)24-20(14-32-16-28-15-29-32)23(25(34)30-19-6-2-1-3-7-19)31-33(24)22-9-5-4-8-21(22)27/h4-5,8-13,15-16,19H,1-3,6-7,14H2,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN55,212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane				Bioorg Med Chem 18: 1149-62 (2010) Article DOI: 10.1016/j.bmc.2009.12.040 BindingDB Entry DOI: 10.7270/Q2TD9XG2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50309995 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C27H20Br2Cl2N6O/c1-16-10-20(29)7-4-18(16)12-33-27(38)25-22(13-36-15-32-14-34-36)26(17-2-5-19(28)6-3-17)37(35-25)24-9-8-21(30)11-23(24)31/h2-11,14-15H,12-13H2,1H3,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]WIN55,212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane				Bioorg Med Chem 18: 1149-62 (2010) Article DOI: 10.1016/j.bmc.2009.12.040 BindingDB Entry DOI: 10.7270/Q2TD9XG2
					More data for this Ligand-Target Pair