BDBM20289 2-[(4-tert-butylphenyl)methyl]-3-[2-(4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate::alpha-methyl amide analogue, 9

SMILES: CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1

InChI Key: InChIKey=FCEIDPNJEFCNEY-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 20289   

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
Vanilloid receptor (Rattus norvegicus (rat))	BDBM20289 (2-[(4-tert-butylphenyl)methyl]-3-[2-(4-methanesulf...) Show SMILES CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C29H42N2O5S/c1-20(23-11-15-25(16-12-23)31-37(8,34)35)26(32)30-18-22(19-36-27(33)29(5,6)7)17-21-9-13-24(14-10-21)28(2,3)4/h9-16,20,22,31H,17-19H2,1-8H3,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	55	-10.3	n/a	n/a	52	n/a	n/a	7.4	37
Seoul National University					Assay Description Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...				J Med Chem 51: 57-67 (2008) Article DOI: 10.1021/jm701049p BindingDB Entry DOI: 10.7270/Q2222S1N
					More data for this Ligand-Target Pair