Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50042888   

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))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor transfected in human U2OS cells assessed as beta-arrestin2-GFP aggregation after 40 mins				J Med Chem 56: 3904-21 (2013) Article DOI: 10.1021/jm4000775 BindingDB Entry DOI: 10.7270/Q2VQ3429
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50432712 (AM4089 | CHEMBL2348473) Show SMILES CC1(C)Oc2cc(cc(O)c2-c2cc(CO)ccc12)C12CC3CC(CC(C3)C1)C2 |THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25| Show InChI InChI=1S/C26H30O3/c1-25(2)21-4-3-15(14-27)8-20(21)24-22(28)9-19(10-23(24)29-25)26-11-16-5-17(12-26)7-18(6-16)13-26/h3-4,8-10,16-18,27-28H,5-7,11-14H2,1-2H3	PDB NCI pathway 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	450	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor transfected in human U2OS cells assessed as beta-arrestin2-GFP aggregation after 40 mins				J Med Chem 56: 3904-21 (2013) Article DOI: 10.1021/jm4000775 BindingDB Entry DOI: 10.7270/Q2VQ3429
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50169951 ((6aR,10aR)-3-Adamantan-1-yl-6,6,9-trimethyl-6a,7,1...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2 |r,t:1,TLB:11:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,11:18:21:25.24.23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C26H34O2/c1-15-4-5-21-20(6-15)24-22(27)10-19(11-23(24)28-25(21,2)3)26-12-16-7-17(13-26)9-18(8-16)14-26/h4,10-11,16-18,20-21,27H,5-9,12-14H2,1-3H3/t16?,17?,18?,20-,21-,26?/m1/s1	PDB NCI pathway 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	1.53E+3	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor transfected in human U2OS cells assessed as beta-arrestin2-GFP aggregation after 40 mins				J Med Chem 56: 3904-21 (2013) Article DOI: 10.1021/jm4000775 BindingDB Entry DOI: 10.7270/Q2VQ3429
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50432714 (AM4054 | CHEMBL2348462) Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@H](CO)CC[C@@H]12)C12CC3CC(CC(C3)C1)C2 |r,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25| Show InChI InChI=1S/C26H36O3/c1-25(2)21-4-3-15(14-27)8-20(21)24-22(28)9-19(10-23(24)29-25)26-11-16-5-17(12-26)7-18(6-16)13-26/h9-10,15-18,20-21,27-28H,3-8,11-14H2,1-2H3/t15-,16?,17?,18?,20-,21-,26?/m1/s1	PDB NCI pathway 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	96	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor transfected in human U2OS cells assessed as beta-arrestin2-GFP aggregation after 40 mins				J Med Chem 56: 3904-21 (2013) Article DOI: 10.1021/jm4000775 BindingDB Entry DOI: 10.7270/Q2VQ3429
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50432713 (CHEMBL2348472) Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(CO)=CC[C@@H]12)C12CC3CC(CC(C3)C1)C2 |r,c:16,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25| Show InChI InChI=1S/C26H34O3/c1-25(2)21-4-3-15(14-27)8-20(21)24-22(28)9-19(10-23(24)29-25)26-11-16-5-17(12-26)7-18(6-16)13-26/h3,9-10,16-18,20-21,27-28H,4-8,11-14H2,1-2H3/t16?,17?,18?,20-,21-,26?/m1/s1	PDB NCI pathway 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	230	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor transfected in human U2OS cells assessed as beta-arrestin2-GFP aggregation after 40 mins				J Med Chem 56: 3904-21 (2013) Article DOI: 10.1021/jm4000775 BindingDB Entry DOI: 10.7270/Q2VQ3429
					More data for this Ligand-Target Pair