Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50074309'   

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 (Rattus norvegicus (rat))	BDBM50074309 (1-(2,4-Dichloro-phenyl)-4-methyl-5-phenyl-1H-pyraz...) Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-12-6-3-7-13-27)25-28(19-11-10-17(23)14-18(19)24)21(15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain				J Med Chem 42: 769-76 (1999) Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50074309 (1-(2,4-Dichloro-phenyl)-4-methyl-5-phenyl-1H-pyraz...) Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-12-6-3-7-13-27)25-28(19-11-10-17(23)14-18(19)24)21(15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CB1 receptor (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0418-y BindingDB Entry DOI: 10.7270/Q2WS8X4M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50074309 (1-(2,4-Dichloro-phenyl)-4-methyl-5-phenyl-1H-pyraz...) Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-12-6-3-7-13-27)25-28(19-11-10-17(23)14-18(19)24)21(15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CB1 receptor (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0418-y BindingDB Entry DOI: 10.7270/Q2WS8X4M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50074309 (1-(2,4-Dichloro-phenyl)-4-methyl-5-phenyl-1H-pyraz...) Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-12-6-3-7-13-27)25-28(19-11-10-17(23)14-18(19)24)21(15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.				J Med Chem 45: 1447-59 (2002) BindingDB Entry DOI: 10.7270/Q2222T3Z
					More data for this Ligand-Target Pair