BDBM50224083 CHEMBL238047::N3-(1-(3,5-dimethyl)adamantyl)-4-oxo-1-(4-fluorobenzyl)-1,4-dihydroquinoline-3-carboxamide

SMILES: CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O

InChI Key: InChIKey=VNVBKFYNXNMSCQ-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 = 50224083   

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))	BDBM50224083 (CHEMBL238047 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...) Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O |w:3.2,9.14,1.0,5.5,THB:8:5:2:10.9.11,8:9:4.5.7:2,11:9:4:7.1.2,11:1:4:10.8.9,TEB:0:1:4:10.8.9,0:1:10:4.5.8,6:5:2:10.9.11,6:5:10:1.2.11,12:9:4:7.1.2,12:9:4.5.7:2| Show InChI InChI=1S/C29H31FN2O2/c1-27-11-20-12-28(2,16-27)18-29(13-20,17-27)31-26(34)23-15-32(14-19-7-9-21(30)10-8-19)24-6-4-3-5-22(24)25(23)33/h3-10,15,20H,11-14,16-18H2,1-2H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83.4	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