BDBM50399527 CHEMBL2180222

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

InChI Key: InChIKey=CVMCUOXJDFHVPX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50399527   

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))	BDBM50399527 (CHEMBL2180222) Show SMILES CCCNC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C32H31Cl2N7O/c1-2-18-35-31(42)39-32(22-8-4-3-5-9-22)16-19-40(20-17-32)29-27-30(37-21-36-29)41(24-14-12-23(33)13-15-24)28(38-27)25-10-6-7-11-26(25)34/h3-15,21H,2,16-20H2,1H3,(H2,35,39,42)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	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))	BDBM50399527 (CHEMBL2180222) Show SMILES CCCNC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C32H31Cl2N7O/c1-2-18-35-31(42)39-32(22-8-4-3-5-9-22)16-19-40(20-17-32)29-27-30(37-21-36-29)41(24-14-12-23(33)13-15-24)28(38-27)25-10-6-7-11-26(25)34/h3-15,21H,2,16-20H2,1H3,(H2,35,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.78E+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