BDBM50309060 CHEMBL600885::N-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)cyclopropanecarboxamide

SMILES: Clc1ccc(cc1)N1C[C@H](CNC(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl

InChI Key: InChIKey=KVQFDDPVQAENDN-QKKBWIMNSA-N

Data: 1 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309060   

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))	BDBM50309060 (CHEMBL600885 | N-(((3S,6S)-1-(4-chlorophenyl)-6-(2...) Show SMILES Clc1ccc(cc1)N1C[C@H](CNC(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C22H23Cl3N2O/c23-16-4-7-18(8-5-16)27-13-14(12-26-22(28)15-2-3-15)1-10-21(27)19-9-6-17(24)11-20(19)25/h4-9,11,14-15,21H,1-3,10,12-13H2,(H,26,28)/t14-,21-/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	112	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