BDBM50224082 CHEMBL236539::N3-(1-(3,5-dimethyl)adamantyl)-2-methyl-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide

SMILES: CCCCCn1c(C)c(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12

InChI Key: InChIKey=ZKDQQZUDSVHKMM-UHFFFAOYSA-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 = 50224082   

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 2 (Homo sapiens (Human))	BDBM50224082 (CHEMBL236539 | N3-(1-(3,5-dimethyl)adamantyl)-2-me...) Show SMILES CCCCCn1c(C)c(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12 |w:14.14,12.11,16.16,19.19,TLB:23:12:21:18.16.15,THB:22:19:15:13.12.23,22:12:21.19.18:15,23:16:21:13.22.12,TEB:11:12:21:18.16.15,11:12:21.19.18:15,17:16:21:13.22.12,17:16:13:21.19.22,20:19:13:16.15.23,20:19:15:13.12.23| Show InChI InChI=1S/C28H38N2O2/c1-5-6-9-12-30-19(2)23(24(31)21-10-7-8-11-22(21)30)25(32)29-28-15-20-13-26(3,17-28)16-27(4,14-20)18-28/h7-8,10-11,20H,5-6,9,12-18H2,1-4H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of human CB2 receptor expressed in CHO cells				J Med Chem 50: 5471-84 (2007) Article DOI: 10.1021/jm070387h BindingDB Entry DOI: 10.7270/Q2Z31ZC7
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