BDBM50296613 (R)-3-acetamido-2-(N,2,4,6-tetramethylphenylsulfonamido)propanoic acid::CHEMBL549991

SMILES: CN([C@H](CNC(C)=O)C(O)=O)S(=O)(=O)c1c(C)cc(C)cc1C

InChI Key: InChIKey=ADUAPZVJZJTJPQ-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 = 50296613   

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))	BDBM50296613 ((R)-3-acetamido-2-(N,2,4,6-tetramethylphenylsulfon...) Show SMILES CN([C@H](CNC(C)=O)C(O)=O)S(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C15H22N2O5S/c1-9-6-10(2)14(11(3)7-9)23(21,22)17(5)13(15(19)20)8-16-12(4)18/h6-7,13H,8H2,1-5H3,(H,16,18)(H,19,20)/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	>5.00E+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