Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM192522'   

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))	BDBM192522 (US9187480, N-{[4-({[8-(2-chlorophenyl)-9-(4-chloro...) Show SMILES CS(=O)(=O)NCC1CCC(CNc2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)CC1 |(2,1.92,;3.33,2.69,;4.1,4.03,;2.56,4.03,;4.67,1.92,;4.67,.38,;3.33,-.39,;2,.38,;.67,-.39,;.67,-1.93,;-.67,-2.7,;-2,-1.93,;-3.33,-2.7,;-4.67,-1.93,;-6,-2.7,;-6,-4.24,;-4.67,-5.01,;-4.35,-6.51,;-2.82,-6.67,;-2.19,-5.27,;-3.33,-4.24,;-2.05,-8.01,;-2.82,-9.34,;-2.05,-10.67,;-.51,-10.67,;.26,-9.34,;-.51,-8.01,;.26,-6.67,;-5.44,-7.6,;-6.92,-7.2,;-8.01,-8.29,;-7.61,-9.78,;-8.7,-10.87,;-6.13,-10.18,;-5.04,-9.09,;2,-2.7,;3.33,-1.93,)| Show InChI InChI=1S/C26H28Cl2N6O2S/c1-37(35,36)32-15-18-8-6-17(7-9-18)14-29-24-23-26(31-16-30-24)34(20-12-10-19(27)11-13-20)25(33-23)21-4-2-3-5-22(21)28/h2-5,10-13,16-18,32H,6-9,14-15H2,1H3,(H,29,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	44.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192522 (US9187480, N-{[4-({[8-(2-chlorophenyl)-9-(4-chloro...) Show SMILES CS(=O)(=O)NCC1CCC(CNc2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)CC1 |(2,1.92,;3.33,2.69,;4.1,4.03,;2.56,4.03,;4.67,1.92,;4.67,.38,;3.33,-.39,;2,.38,;.67,-.39,;.67,-1.93,;-.67,-2.7,;-2,-1.93,;-3.33,-2.7,;-4.67,-1.93,;-6,-2.7,;-6,-4.24,;-4.67,-5.01,;-4.35,-6.51,;-2.82,-6.67,;-2.19,-5.27,;-3.33,-4.24,;-2.05,-8.01,;-2.82,-9.34,;-2.05,-10.67,;-.51,-10.67,;.26,-9.34,;-.51,-8.01,;.26,-6.67,;-5.44,-7.6,;-6.92,-7.2,;-8.01,-8.29,;-7.61,-9.78,;-8.7,-10.87,;-6.13,-10.18,;-5.04,-9.09,;2,-2.7,;3.33,-1.93,)| Show InChI InChI=1S/C26H28Cl2N6O2S/c1-37(35,36)32-15-18-8-6-17(7-9-18)14-29-24-23-26(31-16-30-24)34(20-12-10-19(27)11-13-20)25(33-23)21-4-2-3-5-22(21)28/h2-5,10-13,16-18,32H,6-9,14-15H2,1H3,(H,29,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
					More data for this Ligand-Target Pair