Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50328961'   

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))	BDBM50328961 (CHEMBL1270662 | N-{7-[(7-Aminoheptyl)(methyl)amino...) Show SMILES CN(CCCCCCCN)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C32H44Cl3N5O/c1-24-30(32(41)37-20-10-6-4-8-12-22-39(2)21-11-7-3-5-9-19-36)38-40(29-18-17-27(34)23-28(29)35)31(24)25-13-15-26(33)16-14-25/h13-18,23H,3-12,19-22,36H2,1-2H3,(H,37,41)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells				J Med Chem 53: 7048-60 (2010) Article DOI: 10.1021/jm1006676 BindingDB Entry DOI: 10.7270/Q27P8ZMC
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50328961 (CHEMBL1270662 | N-{7-[(7-Aminoheptyl)(methyl)amino...) Show SMILES CN(CCCCCCCN)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C32H44Cl3N5O/c1-24-30(32(41)37-20-10-6-4-8-12-22-39(2)21-11-7-3-5-9-19-36)38-40(29-18-17-27(34)23-28(29)35)31(24)25-13-15-26(33)16-14-25/h13-18,23H,3-12,19-22,36H2,1-2H3,(H,37,41)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 53: 7048-60 (2010) Article DOI: 10.1021/jm1006676 BindingDB Entry DOI: 10.7270/Q27P8ZMC
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50328961 (CHEMBL1270662 | N-{7-[(7-Aminoheptyl)(methyl)amino...) Show SMILES CN(CCCCCCCN)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C32H44Cl3N5O/c1-24-30(32(41)37-20-10-6-4-8-12-22-39(2)21-11-7-3-5-9-19-36)38-40(29-18-17-27(34)23-28(29)35)31(24)25-13-15-26(33)16-14-25/h13-18,23H,3-12,19-22,36H2,1-2H3,(H,37,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding				J Med Chem 53: 7048-60 (2010) Article DOI: 10.1021/jm1006676 BindingDB Entry DOI: 10.7270/Q27P8ZMC
					More data for this Ligand-Target Pair