Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50023633'   

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))	BDBM50023633 (CHEMBL3341880) Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1 Show InChI InChI=1S/C23H21N5O/c24-16-17-9-11-19(12-10-17)25-23(29)26-20-6-3-5-18(15-20)21-7-4-8-22(27-21)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,25,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15...				J Med Chem 57: 7758-69 (2014) Article DOI: 10.1021/jm501042u BindingDB Entry DOI: 10.7270/Q26W9CNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50023633 (CHEMBL3341880) Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1 Show InChI InChI=1S/C23H21N5O/c24-16-17-9-11-19(12-10-17)25-23(29)26-20-6-3-5-18(15-20)21-7-4-8-22(27-21)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,25,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Allosteric antagonist activity at human CB1 receptor by Ca2+ assay				J Med Chem 62: 9806-9823 (2019) Article DOI: 10.1021/acs.jmedchem.9b01161 BindingDB Entry DOI: 10.7270/Q28D00R3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50023633 (CHEMBL3341880) Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1 Show InChI InChI=1S/C23H21N5O/c24-16-17-9-11-19(12-10-17)25-23(29)26-20-6-3-5-18(15-20)21-7-4-8-22(27-21)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,25,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Allosteric antagonist activity at human CB1 receptor by Ca2+ assay				J Med Chem 62: 9806-9823 (2019) Article DOI: 10.1021/acs.jmedchem.9b01161 BindingDB Entry DOI: 10.7270/Q28D00R3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50023633 (CHEMBL3341880) Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1 Show InChI InChI=1S/C23H21N5O/c24-16-17-9-11-19(12-10-17)25-23(29)26-20-6-3-5-18(15-20)21-7-4-8-22(27-21)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,25,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 57: 7758-69 (2014) Article DOI: 10.1021/jm501042u BindingDB Entry DOI: 10.7270/Q26W9CNX
					More data for this Ligand-Target Pair