BDBM50296608 (R)-3-(nicotinamido)-2-(2,4,6-trimethylphenylsulfonamido)propanoic acid::CHEMBL562529

SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNC(=O)c1cccnc1)C(O)=O

InChI Key: InChIKey=MDQKXNZNLFVCRA-OAHLLOKOSA-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 = 50296608   

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))	BDBM50296608 ((R)-3-(nicotinamido)-2-(2,4,6-trimethylphenylsulfo...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNC(=O)c1cccnc1)C(O)=O |r| Show InChI InChI=1S/C18H21N3O5S/c1-11-7-12(2)16(13(3)8-11)27(25,26)21-15(18(23)24)10-20-17(22)14-5-4-6-19-9-14/h4-9,15,21H,10H2,1-3H3,(H,20,22)(H,23,24)/t15-/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	81	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