BDBM50224063 CHEMBL235946::N3-(1-(3,5-dimethyl)adamantyl)-8-chloro-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide

SMILES: CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cccc(Cl)c12

InChI Key: InChIKey=XBIFKMDRQRXHQC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50224063   

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))	BDBM50224063 (CHEMBL235946 | N3-(1-(3,5-dimethyl)adamantyl)-8-ch...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cccc(Cl)c12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22| Show InChI InChI=1S/C27H35ClN2O2/c1-4-5-6-10-30-14-20(23(31)19-8-7-9-21(28)22(19)30)24(32)29-27-13-18-11-25(2,16-27)15-26(3,12-18)17-27/h7-9,14,18H,4-6,10-13,15-17H2,1-3H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.4	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
					More data for this Ligand-Target Pair