Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50323006'   

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 (Rattus norvegicus (rat))	BDBM50323006 (1'-(5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(3...) Show SMILES CS(=O)(=O)NCCCn1c(cc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(N1CCC(F)(F)CC1)C(N)=O Show InChI InChI=1S/C32H36Cl3F2N5O4S/c1-47(45,46)39-13-2-14-42-27(20-25(24-8-7-23(34)19-26(24)35)28(42)21-3-5-22(33)6-4-21)29(43)40-15-9-31(10-16-40,30(38)44)41-17-11-32(36,37)12-18-41/h3-8,19-20,39H,2,9-18H2,1H3,(H2,38,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis R&D Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor in rat brain synaptosomal membranes				Bioorg Med Chem Lett 20: 4573-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.017 BindingDB Entry DOI: 10.7270/Q28G8KV6
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50323006 (1'-(5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(3...) Show SMILES CS(=O)(=O)NCCCn1c(cc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(N1CCC(F)(F)CC1)C(N)=O Show InChI InChI=1S/C32H36Cl3F2N5O4S/c1-47(45,46)39-13-2-14-42-27(20-25(24-8-7-23(34)19-26(24)35)28(42)21-3-5-22(33)6-4-21)29(43)40-15-9-31(10-16-40,30(38)44)41-17-11-32(36,37)12-18-41/h3-8,19-20,39H,2,9-18H2,1H3,(H2,38,44)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4573-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.017 BindingDB Entry DOI: 10.7270/Q28G8KV6
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50323006 (1'-(5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(3...) Show SMILES CS(=O)(=O)NCCCn1c(cc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(N1CCC(F)(F)CC1)C(N)=O Show InChI InChI=1S/C32H36Cl3F2N5O4S/c1-47(45,46)39-13-2-14-42-27(20-25(24-8-7-23(34)19-26(24)35)28(42)21-3-5-22(33)6-4-21)29(43)40-15-9-31(10-16-40,30(38)44)41-17-11-32(36,37)12-18-41/h3-8,19-20,39H,2,9-18H2,1H3,(H2,38,44)	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	15	n/a	n/a	n/a	n/a
Sanofi-aventis R&D Curated by ChEMBL					Assay Description Antagonist activity at CB1 receptor in forskolin-stimulated human U373-MG cells assessed as inhibition of CP-55940-induced cAMP accumulation				Bioorg Med Chem Lett 20: 4573-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.017 BindingDB Entry DOI: 10.7270/Q28G8KV6
					More data for this Ligand-Target Pair