Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50306231'   

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))	BDBM50306231 (4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chl...) Show SMILES Cc1ccncc1NC(=O)c1nn(c(c1CC(N)=O)-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H19Cl2N5O2/c1-14-10-11-28-13-19(14)29-24(33)22-17(12-21(27)32)23(15-6-8-16(25)9-7-15)31(30-22)20-5-3-2-4-18(20)26/h2-11,13H,12H2,1H3,(H2,27,32)(H,29,33)	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	0.550	n/a	n/a	n/a	n/a	n/a	n/a
7TM Pharma A/S Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 20: 453-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.003 BindingDB Entry DOI: 10.7270/Q2MK6D09
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50306231 (4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chl...) Show SMILES Cc1ccncc1NC(=O)c1nn(c(c1CC(N)=O)-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H19Cl2N5O2/c1-14-10-11-28-13-19(14)29-24(33)22-17(12-21(27)32)23(15-6-8-16(25)9-7-15)31(30-22)20-5-3-2-4-18(20)26/h2-11,13H,12H2,1H3,(H2,27,32)(H,29,33)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
7TM Pharma A/S Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay				Bioorg Med Chem Lett 20: 453-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.003 BindingDB Entry DOI: 10.7270/Q2MK6D09
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50306231 (4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chl...) Show SMILES Cc1ccncc1NC(=O)c1nn(c(c1CC(N)=O)-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H19Cl2N5O2/c1-14-10-11-28-13-19(14)29-24(33)22-17(12-21(27)32)23(15-6-8-16(25)9-7-15)31(30-22)20-5-3-2-4-18(20)26/h2-11,13H,12H2,1H3,(H2,27,32)(H,29,33)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
7TM Pharma A/S Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding				Bioorg Med Chem Lett 20: 453-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.003 BindingDB Entry DOI: 10.7270/Q2MK6D09
					More data for this Ligand-Target Pair