Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50027853   

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))	BDBM50254161 (CHEMBL461011 | N-(5-tert-butylisoxazol-3-yl)-2-(4-...) Show SMILES CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)no1 Show InChI InChI=1S/C17H21ClN2O4S/c1-16(2,3)13-10-14(20-24-13)19-15(21)17(4,5)25(22,23)12-8-6-11(18)7-9-12/h6-10H,1-5H3,(H,19,20,21)	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	11	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation				Bioorg Med Chem Lett 19: 31-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.026 BindingDB Entry DOI: 10.7270/Q2FF3S7X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50254147 (CHEMBL467029 | N-(3-tert-butyl-1-methyl-1H-pyrazol...) Show SMILES Cn1nc(cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C Show InChI InChI=1S/C18H24ClN3O3S/c1-17(2,3)14-11-15(22(6)21-14)20-16(23)18(4,5)26(24,25)13-9-7-12(19)8-10-13/h7-11H,1-6H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation				Bioorg Med Chem Lett 19: 31-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.026 BindingDB Entry DOI: 10.7270/Q2FF3S7X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50254144 (2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-(5-methyl...) Show SMILES Cc1ccc(s1)-c1cncc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H19ClN2O3S2/c1-13-4-9-18(27-13)14-10-16(12-22-11-14)23-19(24)20(2,3)28(25,26)17-7-5-15(21)6-8-17/h4-12H,1-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation				Bioorg Med Chem Lett 19: 31-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.026 BindingDB Entry DOI: 10.7270/Q2FF3S7X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50254143 (CHEMBL511404 | N-(4-chloro-3-(furan-2-yl)phenyl)-2...) Show SMILES CC(C)(C(=O)Nc1ccc(Cl)c(c1)-c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17Cl2NO4S/c1-20(2,28(25,26)15-8-5-13(21)6-9-15)19(24)23-14-7-10-17(22)16(12-14)18-4-3-11-27-18/h3-12H,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation				Bioorg Med Chem Lett 19: 31-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.026 BindingDB Entry DOI: 10.7270/Q2FF3S7X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50254104 (CHEMBL466603 | N-(4-chloro-3-(trifluoromethyl)phen...) Show SMILES CC(C)(C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14Cl2F3NO3S/c1-16(2,27(25,26)12-6-3-10(18)4-7-12)15(24)23-11-5-8-14(19)13(9-11)17(20,21)22/h3-9H,1-2H3,(H,23,24)	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	5	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation				Bioorg Med Chem Lett 19: 31-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.026 BindingDB Entry DOI: 10.7270/Q2FF3S7X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50254067 (2-methyl-N-(quinolin-3-yl)-2-(4-(trifluoromethyl)p...) Show SMILES CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H17F3N2O3S/c1-19(2,29(27,28)16-9-7-14(8-10-16)20(21,22)23)18(26)25-15-11-13-5-3-4-6-17(13)24-12-15/h3-12H,1-2H3,(H,25,26)	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	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation				Bioorg Med Chem Lett 19: 31-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.026 BindingDB Entry DOI: 10.7270/Q2FF3S7X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50254102 (2-(4-chlorophenylsulfonyl)-2-methyl-N-(3-(trifluor...) Show SMILES CC(C)(C(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClF3NO3S/c1-16(2,26(24,25)14-8-6-12(18)7-9-14)15(23)22-13-5-3-4-11(10-13)17(19,20)21/h3-10H,1-2H3,(H,22,23)	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	35	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation				Bioorg Med Chem Lett 19: 31-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.026 BindingDB Entry DOI: 10.7270/Q2FF3S7X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50254101 (2-(4-chlorophenylsulfonyl)-2-methyl-N-(quinolin-3-...) Show SMILES CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClN2O3S/c1-19(2,26(24,25)16-9-7-14(20)8-10-16)18(23)22-15-11-13-5-3-4-6-17(13)21-12-15/h3-12H,1-2H3,(H,22,23)	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	13	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation				Bioorg Med Chem Lett 19: 31-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.026 BindingDB Entry DOI: 10.7270/Q2FF3S7X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50254100 (2-(4-fluorophenylsulfonyl)-2-methyl-N-(quinolin-3-...) Show SMILES CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN2O3S/c1-19(2,26(24,25)16-9-7-14(20)8-10-16)18(23)22-15-11-13-5-3-4-6-17(13)21-12-15/h3-12H,1-2H3,(H,22,23)	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	33	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation				Bioorg Med Chem Lett 19: 31-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.026 BindingDB Entry DOI: 10.7270/Q2FF3S7X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50254068 (2-(2-chloro-4-(trifluoromethyl)phenylsulfonyl)-2-m...) Show SMILES CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C20H16ClF3N2O3S/c1-19(2,18(27)26-14-9-12-5-3-4-6-16(12)25-11-14)30(28,29)17-8-7-13(10-15(17)21)20(22,23)24/h3-11H,1-2H3,(H,26,27)	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
Amgen Inc Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation				Bioorg Med Chem Lett 19: 31-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.026 BindingDB Entry DOI: 10.7270/Q2FF3S7X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50254103 (2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluor...) Show SMILES CC(C)(C(=O)Nc1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClF3NO3S/c1-16(2,26(24,25)14-9-5-12(18)6-10-14)15(23)22-13-7-3-11(4-8-13)17(19,20)21/h3-10H,1-2H3,(H,22,23)	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	57	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation				Bioorg Med Chem Lett 19: 31-5 (2008) Article DOI: 10.1016/j.bmcl.2008.11.026 BindingDB Entry DOI: 10.7270/Q2FF3S7X
					More data for this Ligand-Target Pair