BDBM50110333 3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-(2-nitro-phenylamino)-propionic acid::CHEMBL162107

SMILES: COc1cccc(OC)c1-c1ccc(CC(Nc2ccccc2[N+]([O-])=O)C(O)=O)cc1

InChI Key: InChIKey=AYONUAGLNYQGOH-UHFFFAOYSA-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 = 50110333   

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
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50110333 (3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-(2-nitro-pheny...) Show SMILES COc1cccc(OC)c1-c1ccc(CC(Nc2ccccc2[N+]([O-])=O)C(O)=O)cc1 Show InChI InChI=1S/C23H22N2O6/c1-30-20-8-5-9-21(31-2)22(20)16-12-10-15(11-13-16)14-18(23(26)27)24-17-6-3-4-7-19(17)25(28)29/h3-13,18,24H,14H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of [125I]VCAM-Ig binding to very late antigen -4 on jurkat cells.				Bioorg Med Chem Lett 12: 729-31 (2002) BindingDB Entry DOI: 10.7270/Q2PN96XC
					More data for this Ligand-Target Pair