BDBM50224050 CHEMBL393931::N3-(1-(3,5-dimethyl)adamantyl)-4-oxo-2-phenyl-1-pentyl-1,4-dihydroquinoline-3-carboxamide

SMILES: CCCCCn1c(-c2ccccc2)c(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12

InChI Key: InChIKey=SXIFHTSAZCAARH-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 = 50224050   

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))	BDBM50224050 (CHEMBL393931 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...) Show SMILES CCCCCn1c(-c2ccccc2)c(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12 |w:19.20,17.17,21.22,24.25,TLB:28:17:26:23.21.20,THB:27:24:20:18.17.28,27:17:26.24.23:20,28:21:26:18.27.17,TEB:16:17:26:23.21.20,16:17:26.24.23:20,22:21:26:18.27.17,22:21:18:26.24.27,25:24:20:18.17.28,25:24:18:21.20.28| Show InChI InChI=1S/C33H40N2O2/c1-4-5-11-16-35-26-15-10-9-14-25(26)29(36)27(28(35)24-12-7-6-8-13-24)30(37)34-33-19-23-17-31(2,21-33)20-32(3,18-23)22-33/h6-10,12-15,23H,4-5,11,16-22H2,1-3H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	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