Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 16 entry = 50044148   

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))	BDBM50006272 (CHEMBL3234690) Show SMILES Clc1ccc(c(Cl)c1)-c1nc(N2CCCCC2)c2ccccc2n1 Show InChI InChI=1S/C19H17Cl2N3/c20-13-8-9-14(16(21)12-13)18-22-17-7-3-2-6-15(17)19(23-18)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50006237 (CHEMBL3234704) Show SMILES CN(C1CCOCC1)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)CO Show InChI InChI=1S/C17H29N3O4/c1-16(2,11-21)13-10-14(24-19-13)18-15(22)17(3,4)20(5)12-6-8-23-9-7-12/h10,12,21H,6-9,11H2,1-5H3,(H,18,22)	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	n/a	n/a	56	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50006258 (CHEMBL3234701) Show SMILES CC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C Show InChI InChI=1S/C16H28N2O4S/c1-11(2)8-9-23(20,21)16(6,7)14(19)17-13-10-12(18-22-13)15(3,4)5/h10-11H,8-9H2,1-7H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	0.0400	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50005917 (CHEMBL3234681) Show SMILES [H][C@]12CC[C@]([H])(C1)c1c2c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C19H21F2N3O/c1-19(2,3)22-18(25)16-15-10-4-5-11(8-10)17(15)24(23-16)14-7-6-12(20)9-13(14)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,25)/t10-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.610	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50006263 (CHEMBL3234703) Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)[nH]1 Show InChI InChI=1S/C18H24N4O5S/c1-18(2,28(24,25)14-8-10-27-11-9-14)16(23)20-17-19-15(21-22-17)12-4-6-13(26-3)7-5-12/h4-7,14H,8-11H2,1-3H3,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.660	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50006448 (CHEMBL3234678) Show SMILES FC(F)(F)c1cccc(c1)-c1nc(CN2CCC(F)(F)CC2)c2ccccn12 Show InChI InChI=1S/C20H18F5N3/c21-19(22)7-10-27(11-8-19)13-16-17-6-1-2-9-28(17)18(26-16)14-4-3-5-15(12-14)20(23,24)25/h1-6,9,12H,7-8,10-11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50364102 (CHEMBL1950928) Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)C2CCCC2)C(C)(C)C)CC1 Show InChI InChI=1S/C24H35N3O3S/c1-17(28)26-13-11-18(12-14-26)16-27-22-10-9-20(31(29,30)19-7-5-6-8-19)15-21(22)25-23(27)24(2,3)4/h9-10,15,18-19H,5-8,11-14,16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50006445 (CHEMBL3234677) Show SMILES CC(NC(=O)c1nc(N2CCOCC2)n2ccccc12)C(C)(C)C Show InChI InChI=1S/C18H26N4O2/c1-13(18(2,3)4)19-16(23)15-14-7-5-6-8-22(14)17(20-15)21-9-11-24-12-10-21/h5-8,13H,9-12H2,1-4H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.40	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50006447 (CHEMBL3234702 | Example 2 in WO2010036630 | US1108...) Show SMILES CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1 Show InChI InChI=1S/C16H26N2O6S/c1-15(2,10-19)12-9-13(24-18-12)17-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11,19H,5-8,10H2,1-4H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50006107 (CHEMBL3234679) Show SMILES CNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2CCCN(C)Cc12)C(C)(C)C |r| Show InChI InChI=1S/C22H31N5O2/c1-22(2,3)18(21(29)23-4)25-20(28)17-16-14-26(5)12-9-13-27(16)19(24-17)15-10-7-6-8-11-15/h6-8,10-11,18H,9,12-14H2,1-5H3,(H,23,29)(H,25,28)/t18-/m1/s1	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	n/a	n/a	10	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50006264 (CHEMBL3234705) Show SMILES Cc1sc(NC(=O)N2CCCN(CC2)C(=O)C2CCC(F)(F)CC2)nc1C(C)(C)C Show InChI InChI=1S/C21H32F2N4O2S/c1-14-16(20(2,3)4)24-18(30-14)25-19(29)27-11-5-10-26(12-13-27)17(28)15-6-8-21(22,23)9-7-15/h15H,5-13H2,1-4H3,(H,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
					More data for this Ligand-Target Pair