BDBM50399529 CHEMBL2180220::US9187480, 1-{1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-phenylpiperidin-4-yl}-3-ethylurea

SMILES: CCNC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1

InChI Key: InChIKey=JLVAHQKGPMYULG-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 = 50399529   

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))	BDBM50399529 (CHEMBL2180220 | US9187480, 1-{1-[8-(2-chlorophenyl...) Show SMILES CCNC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C31H29Cl2N7O/c1-2-34-30(41)38-31(21-8-4-3-5-9-21)16-18-39(19-17-31)28-26-29(36-20-35-28)40(23-14-12-22(32)13-15-23)27(37-26)24-10-6-7-11-25(24)33/h3-15,20H,2,16-19H2,1H3,(H2,34,38,41)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	195	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))	BDBM50399529 (CHEMBL2180220 | US9187480, 1-{1-[8-(2-chlorophenyl...) Show SMILES CCNC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C31H29Cl2N7O/c1-2-34-30(41)38-31(21-8-4-3-5-9-21)16-18-39(19-17-31)28-26-29(36-20-35-28)40(23-14-12-22(32)13-15-23)27(37-26)24-10-6-7-11-25(24)33/h3-15,20H,2,16-19H2,1H3,(H2,34,38,41)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	195	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 55: 10022-32 (2012) Article DOI: 10.1021/jm301181r BindingDB Entry DOI: 10.7270/Q2GB256X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50399529 (CHEMBL2180220 | US9187480, 1-{1-[8-(2-chlorophenyl...) Show SMILES CCNC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C31H29Cl2N7O/c1-2-34-30(41)38-31(21-8-4-3-5-9-21)16-18-39(19-17-31)28-26-29(36-20-35-28)40(23-14-12-22(32)13-15-23)27(37-26)24-10-6-7-11-25(24)33/h3-15,20H,2,16-19H2,1H3,(H2,34,38,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.65E+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 human CB2 receptor expressed in CHO-K1 cells				J Med Chem 55: 10022-32 (2012) Article DOI: 10.1021/jm301181r BindingDB Entry DOI: 10.7270/Q2GB256X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50399529 (CHEMBL2180220 | US9187480, 1-{1-[8-(2-chlorophenyl...) Show SMILES CCNC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C31H29Cl2N7O/c1-2-34-30(41)38-31(21-8-4-3-5-9-21)16-18-39(19-17-31)28-26-29(36-20-35-28)40(23-14-12-22(32)13-15-23)27(37-26)24-10-6-7-11-25(24)33/h3-15,20H,2,16-19H2,1H3,(H2,34,38,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4.65E+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