Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM27339'   

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))	BDBM27339 (9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophe...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(NC3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H20Cl3N5/c24-14-6-9-17(10-7-14)31-22(18-11-8-15(25)12-19(18)26)30-20-21(27-13-28-23(20)31)29-16-4-2-1-3-5-16/h6-13,16H,1-5H2,(H,27,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7.10	-47.3	n/a	n/a	n/a	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 234-7 (2009) Article DOI: 10.1021/jm8012932 BindingDB Entry DOI: 10.7270/Q2CN7276
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM27339 (9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophe...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(NC3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H20Cl3N5/c24-14-6-9-17(10-7-14)31-22(18-11-8-15(25)12-19(18)26)30-20-21(27-13-28-23(20)31)29-16-4-2-1-3-5-16/h6-13,16H,1-5H2,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	12	-46.0	n/a	n/a	n/a	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 234-7 (2009) Article DOI: 10.1021/jm8012932 BindingDB Entry DOI: 10.7270/Q2CN7276
					More data for this Ligand-Target Pair