null

SMILES: Cc1ccccc1NC(=O)Nc1ccc(CC(=O)C2CCC(CC2)(C(=O)N[C@@H](Cc2ccccc2)C(O)=O)c2ccccc2)cc1

InChI Key: InChIKey=UGZHFBYZXYHYQD-BHWWHQGISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110103   

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-4/beta-1 (Homo sapiens (Human))	BDBM50110103 ((S)-3-Phenyl-2-[(1-phenyl-4-{2-[4-(3-o-tolyl-ureid...) Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)C2CCC(CC2)(C(=O)N[C@@H](Cc2ccccc2)C(O)=O)c2ccccc2)cc1 |wU:27.28,(.38,-9.34,;.38,-7.8,;-.95,-7.03,;-.95,-5.49,;.38,-4.72,;1.73,-5.49,;1.73,-7.03,;3.06,-7.8,;4.39,-7.03,;4.39,-5.49,;5.72,-7.8,;7.05,-7.03,;8.4,-7.8,;9.73,-7.03,;9.73,-5.49,;11.06,-4.71,;12.4,-5.48,;12.4,-7.02,;13.73,-4.7,;15.06,-5.48,;16.39,-4.71,;16.39,-3.17,;15.06,-2.4,;13.72,-3.17,;17.72,-2.4,;17.76,-3.76,;19.05,-3.17,;20.39,-2.4,;20.39,-.86,;21.73,-.09,;23.05,-.87,;24.39,-.1,;24.39,1.44,;23.04,2.21,;21.72,1.44,;21.73,-3.17,;21.73,-4.72,;23.06,-2.41,;15.99,-1.68,;17.09,-.57,;16.67,.93,;15.17,1.32,;14.08,.2,;14.5,-1.28,;8.38,-4.72,;7.05,-5.49,)| Show InChI InChI=1S/C38H39N3O5/c1-26-10-8-9-15-32(26)41-37(46)39-31-18-16-28(17-19-31)25-34(42)29-20-22-38(23-21-29,30-13-6-3-7-14-30)36(45)40-33(35(43)44)24-27-11-4-2-5-12-27/h2-19,29,33H,20-25H2,1H3,(H,40,45)(H,43,44)(H2,39,41,46)/t29?,33-,38?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]VCAM-Ig binding to Alpha-4 beta-1 (VLA-4) of Jurkat cells				Bioorg Med Chem Lett 12: 685-8 (2002) BindingDB Entry DOI: 10.7270/Q2TD9ZM8
					More data for this Ligand-Target Pair