BDBM50087600 (S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-3-[4-(2,4,5-trifluoro-benzoylamino)-phenyl]-propionic acid::CHEMBL163216

SMILES: OC(=O)[C@H](Cc1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1

InChI Key: InChIKey=JAPQVBMKHYMVRJ-UXMRNZNESA-N

Data: 2 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 2 hits for monomerid = 50087600   

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))	BDBM50087600 ((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C28H24F3N3O5/c29-20-14-22(31)21(30)13-19(20)26(36)32-18-8-6-16(7-9-18)12-23(28(38)39)33-27(37)24-10-11-25(35)34(24)15-17-4-2-1-3-5-17/h1-9,13-14,23-24H,10-12,15H2,(H,32,36)(H,33,37)(H,38,39)/t23-,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Antagonistic activity against VLA-4 binding to recombinant human VCAM by ramos cell assay				Bioorg Med Chem Lett 10: 729-33 (2000) BindingDB Entry DOI: 10.7270/Q2125TXJ
					More data for this Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50087600 ((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1 Show InChI InChI=1S/C28H24F3N3O5/c29-20-14-22(31)21(30)13-19(20)26(36)32-18-8-6-16(7-9-18)12-23(28(38)39)33-27(37)24-10-11-25(35)34(24)15-17-4-2-1-3-5-17/h1-9,13-14,23-24H,10-12,15H2,(H,32,36)(H,33,37)(H,38,39)/t23-,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay				Bioorg Med Chem Lett 10: 729-33 (2000) BindingDB Entry DOI: 10.7270/Q2125TXJ
					More data for this Ligand-Target Pair