BDBM50399531 CHEMBL2180218

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

InChI Key: InChIKey=CYDCEEAUKMSWFL-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 = 50399531   

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))	BDBM50399531 (CHEMBL2180218) Show SMILES CS(=O)(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C29H26Cl2N6O2S/c1-40(38,39)35-29(20-7-3-2-4-8-20)15-17-36(18-16-29)27-25-28(33-19-32-27)37(22-13-11-21(30)12-14-22)26(34-25)23-9-5-6-10-24(23)31/h2-14,19,35H,15-18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	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))	BDBM50399531 (CHEMBL2180218) Show SMILES CS(=O)(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C29H26Cl2N6O2S/c1-40(38,39)35-29(20-7-3-2-4-8-20)15-17-36(18-16-29)27-25-28(33-19-32-27)37(22-13-11-21(30)12-14-22)26(34-25)23-9-5-6-10-24(23)31/h2-14,19,35H,15-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	948	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