BDBM50296627 (R)-3-butyramido-2-(2,4,6-trimethylphenylsulfonamido)propanoic acid::CHEMBL551067

SMILES: CCCC(=O)NC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O

InChI Key: InChIKey=OAPCBTURSVYQQK-CYBMUJFWSA-N

Data: 1 IC50

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 = 50296627   

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
Integrin alpha-V (Homo sapiens (Human))	BDBM50296627 ((R)-3-butyramido-2-(2,4,6-trimethylphenylsulfonami...) Show SMILES CCCC(=O)NC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |r| Show InChI InChI=1S/C16H24N2O5S/c1-5-6-14(19)17-9-13(16(20)21)18-24(22,23)15-11(3)7-10(2)8-12(15)4/h7-8,13,18H,5-6,9H2,1-4H3,(H,17,19)(H,20,21)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to alphavbeta3 integrin				Bioorg Med Chem Lett 19: 4832-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.041 BindingDB Entry DOI: 10.7270/Q2CJ8DJQ
					More data for this Ligand-Target Pair