Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50200831'   

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))	BDBM50200831 (CHEMBL374791 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccccn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27ClN2O2/c1-18(28-24(29)25(2,3)30-23-11-7-8-16-27-23)22(20-9-5-4-6-10-20)17-19-12-14-21(26)15-13-19/h4-16,18,22H,17H2,1-3H3,(H,28,29)/t18-,22+/m0/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells				J Med Chem 49: 7584-7 (2006) Article DOI: 10.1021/jm060996+ BindingDB Entry DOI: 10.7270/Q2QN67KG
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50200831 (CHEMBL374791 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccccn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27ClN2O2/c1-18(28-24(29)25(2,3)30-23-11-7-8-16-27-23)22(20-9-5-4-6-10-20)17-19-12-14-21(26)15-13-19/h4-16,18,22H,17H2,1-3H3,(H,28,29)/t18-,22+/m0/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells				J Med Chem 51: 4359-69 (2008) Article DOI: 10.1021/jm800219f BindingDB Entry DOI: 10.7270/Q28915N5
					More data for this Ligand-Target Pair