BDBM50309049 CHEMBL591542::N-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)-4-cyanobenzamide

SMILES: Clc1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl

InChI Key: InChIKey=LXFIHJWTYGZELH-BVZFJXPGSA-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 = 50309049   

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))	BDBM50309049 (CHEMBL591542 | N-(((3S,6S)-1-(4-chlorophenyl)-6-(2...) Show SMILES Clc1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H22Cl3N3O/c27-20-6-9-22(10-7-20)32-16-18(3-12-25(32)23-11-8-21(28)13-24(23)29)15-31-26(33)19-4-1-17(14-30)2-5-19/h1-2,4-11,13,18,25H,3,12,15-16H2,(H,31,33)/t18-,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 20: 1278-83 (2010) Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50309049 (CHEMBL591542 | N-(((3S,6S)-1-(4-chlorophenyl)-6-(2...) Show SMILES Clc1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H22Cl3N3O/c27-20-6-9-22(10-7-20)32-16-18(3-12-25(32)23-11-8-21(28)13-24(23)29)15-31-26(33)19-4-1-17(14-30)2-5-19/h1-2,4-11,13,18,25H,3,12,15-16H2,(H,31,33)/t18-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 20: 1278-83 (2010) Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z
					More data for this Ligand-Target Pair