Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50160112'   

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))	BDBM50160112 (6-(2,4-Dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)...) Show SMILES Cc1ccc(cc1)-c1cc(C#N)c(OCc2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H16Cl2F2N2O/c1-15-2-5-17(6-3-15)21-11-18(13-31)26(33-14-16-4-9-23(29)24(30)10-16)32-25(21)20-8-7-19(27)12-22(20)28/h2-12H,14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)				Bioorg Med Chem Lett 15: 645-51 (2005) Article DOI: 10.1016/j.bmcl.2004.11.031 BindingDB Entry DOI: 10.7270/Q2X929SW
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Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50160112 (6-(2,4-Dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)...) Show SMILES Cc1ccc(cc1)-c1cc(C#N)c(OCc2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H16Cl2F2N2O/c1-15-2-5-17(6-3-15)21-11-18(13-31)26(33-14-16-4-9-23(29)24(30)10-16)32-25(21)20-8-7-19(27)12-22(20)28/h2-12H,14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Antagonist activity against human recombinant cannabinoid-1 receptor				Bioorg Med Chem Lett 19: 2990-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.037 BindingDB Entry DOI: 10.7270/Q2CN7543
					More data for this Ligand-Target Pair