Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50042588   

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))	BDBM50180022 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP production after 4...				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428173 (CHEMBL2336528) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)N1CCCCC1)c1ccccc1 Show InChI InChI=1S/C25H28N2O3S/c1-30-24-14-16-25(17-15-24)31(28,29)27(23-8-4-2-5-9-23)20-21-10-12-22(13-11-21)26-18-6-3-7-19-26/h2,4-5,8-17H,3,6-7,18-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP production after 4...				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428185 (CHEMBL2336538) Show SMILES CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C24H28N2O2S/c1-4-25(5-2)22-15-13-21(14-16-22)19-26(23-9-7-6-8-10-23)29(27,28)24-17-11-20(3)12-18-24/h6-18H,4-5,19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.20	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP production after 4...				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428180 (CHEMBL2336543) Show SMILES CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C24H28N2O3S/c1-4-25(5-2)21-13-11-20(12-14-21)19-26(22-9-7-6-8-10-22)30(27,28)24-17-15-23(29-3)16-18-24/h6-18H,4-5,19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP production after 4...				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50428174 (CHEMBL2336549) Show SMILES CCN(CC)c1ccc(CN(c2ncc(C)s2)S(=O)(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C22H27N3O3S2/c1-5-24(6-2)19-9-7-18(8-10-19)16-25(22-23-15-17(3)29-22)30(26,27)21-13-11-20(28-4)12-14-21/h7-15H,5-6,16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	73	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP production after 4...				ACS Med Chem Lett 4: 387-392 (2013) Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ
					More data for this Ligand-Target Pair