Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 3 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 1 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant CB1 receptor expressed in CHO cells by luciferase reporter gene assay				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 1 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28.2	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant CB1 receptor expressed in CHO cells by luciferase reporter gene assay				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 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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant CB1 receptor expressed in CHO cells by luciferase reporter gene assay				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