BDBM192531 US9187480, 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[4-(trifluoromethanesulfonylmethyl)piperidin-1-yl]-9H-purine

SMILES: FC(F)(F)S(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1

InChI Key: InChIKey=ZKHONUIMXURESB-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 192531   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM192531 (US9187480, 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6...) Show SMILES FC(F)(F)S(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19Cl2F3N6O2S/c24-14-5-7-16(8-6-14)34-20(17-3-1-2-4-18(17)25)31-19-21(29-13-30-22(19)34)33-11-9-15(10-12-33)32-37(35,36)23(26,27)28/h1-8,13,15,32H,9-12H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.10	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))	BDBM192531 (US9187480, 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6...) Show SMILES FC(F)(F)S(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19Cl2F3N6O2S/c24-14-5-7-16(8-6-14)34-20(17-3-1-2-4-18(17)25)31-19-21(29-13-30-22(19)34)33-11-9-15(10-12-33)32-37(35,36)23(26,27)28/h1-8,13,15,32H,9-12H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 56: 8066-72 (2013) Article DOI: 10.1021/jm401129n BindingDB Entry DOI: 10.7270/Q2F192NR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM192531 (US9187480, 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6...) Show SMILES FC(F)(F)S(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19Cl2F3N6O2S/c24-14-5-7-16(8-6-14)34-20(17-3-1-2-4-18(17)25)31-19-21(29-13-30-22(19)34)33-11-9-15(10-12-33)32-37(35,36)23(26,27)28/h1-8,13,15,32H,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB2 receptor (unknown origin) expressed in CHO-K1 cells				J Med Chem 56: 8066-72 (2013) Article DOI: 10.1021/jm401129n BindingDB Entry DOI: 10.7270/Q2F192NR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM192531 (US9187480, 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6...) Show SMILES FC(F)(F)S(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19Cl2F3N6O2S/c24-14-5-7-16(8-6-14)34-20(17-3-1-2-4-18(17)25)31-19-21(29-13-30-22(19)34)33-11-9-15(10-12-33)32-37(35,36)23(26,27)28/h1-8,13,15,32H,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.50E+3	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