Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50047244   

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
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50156103 (CHEMBL3781521) Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C(C)(C)C)cc3C(C)(C)Oc2c1 Show InChI InChI=1S/C24H34N4O3/c1-23(2,3)22(29)27-12-9-26(10-13-27)11-14-28-16-19-21(25-28)18-8-7-17(30-6)15-20(18)31-24(19,4)5/h7-8,15-16H,9-14H2,1-6H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.690	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay				J Med Chem 59: 1840-53 (2016) Article DOI: 10.1021/acs.jmedchem.5b01331 BindingDB Entry DOI: 10.7270/Q2BK1F8X
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50156104 (CHEMBL3780020) Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCCC4)cc3C(C)(C)Oc2c1 Show InChI InChI=1S/C26H36N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h9-10,17-19H,4-8,11-16H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.70	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay				J Med Chem 59: 1840-53 (2016) Article DOI: 10.1021/acs.jmedchem.5b01331 BindingDB Entry DOI: 10.7270/Q2BK1F8X
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50156105 (CHEMBL3781437) Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCO4)cc3C(C)(C)Oc2c1 Show InChI InChI=1S/C24H32N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h6-7,15-16,20H,4-5,8-14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay				J Med Chem 59: 1840-53 (2016) Article DOI: 10.1021/acs.jmedchem.5b01331 BindingDB Entry DOI: 10.7270/Q2BK1F8X
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50156112 (CHEMBL3780748) Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4OC)cc3C(C)(C)Oc2c1 Show InChI InChI=1S/C27H33N5O4/c1-27(2)21-16-32(29-26(21)20-10-9-19(34-3)15-24(20)36-27)18-28-25(33)17-30-11-13-31(14-12-30)22-7-5-6-8-23(22)35-4/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.40	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay				J Med Chem 59: 1840-53 (2016) Article DOI: 10.1021/acs.jmedchem.5b01331 BindingDB Entry DOI: 10.7270/Q2BK1F8X
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50156102 (CHEMBL3781953) Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4cccs4)cc3C(C)(C)Oc2c1 Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.510	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay				J Med Chem 59: 1840-53 (2016) Article DOI: 10.1021/acs.jmedchem.5b01331 BindingDB Entry DOI: 10.7270/Q2BK1F8X
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50156107 (CHEMBL3779969) Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccccc4)cc3C(C)(C)Oc2c1 Show InChI InChI=1S/C26H30N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay				J Med Chem 59: 1840-53 (2016) Article DOI: 10.1021/acs.jmedchem.5b01331 BindingDB Entry DOI: 10.7270/Q2BK1F8X
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50156108 (CHEMBL3781158) Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccco4)cc3C(C)(C)Oc2c1 Show InChI InChI=1S/C24H28N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.880	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay				J Med Chem 59: 1840-53 (2016) Article DOI: 10.1021/acs.jmedchem.5b01331 BindingDB Entry DOI: 10.7270/Q2BK1F8X
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50156106 (CHEMBL3779954) Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)COc4ccccc4)cc3C(C)(C)Oc2c1 Show InChI InChI=1S/C27H32N4O4/c1-27(2)23-18-31(28-26(23)22-10-9-21(33-3)17-24(22)35-27)16-13-29-11-14-30(15-12-29)25(32)19-34-20-7-5-4-6-8-20/h4-10,17-18H,11-16,19H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay				J Med Chem 59: 1840-53 (2016) Article DOI: 10.1021/acs.jmedchem.5b01331 BindingDB Entry DOI: 10.7270/Q2BK1F8X
					More data for this Ligand-Target Pair