BDBM93461 hCB1 Inhibitor, 2{1,1,6}

SMILES: Cc1ccccc1-n1ncc(C(=O)NCCCc2ccccc2)c1-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=YLIXLLSBKDRQPU-UHFFFAOYSA-N

Data: 1 IC50

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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 = 93461   

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))	BDBM93461 (hCB1 Inhibitor, 2{1,1,6}) Show SMILES Cc1ccccc1-n1ncc(C(=O)NCCCc2ccccc2)c1-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C32H29N3O/c1-24-11-8-9-17-30(24)35-31(28-20-18-27(19-21-28)26-15-6-3-7-16-26)29(23-34-35)32(36)33-22-10-14-25-12-4-2-5-13-25/h2-9,11-13,15-21,23H,10,14,22H2,1H3,(H,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development					Assay Description Inhibition assay using hCB1.				ACS Comb Sci 14: 197-204 (2012) Article DOI: 10.1021/co200147y BindingDB Entry DOI: 10.7270/Q22J69G1
					More data for this Ligand-Target Pair