Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4' and Ligand = 'BDBM50265509'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-4 (Homo sapiens (Human))	BDBM50265509 ((R)-5-((R)-2-(3-(5-bromo-1H-benzo[d]imidazol-2-yla...) Show SMILES NC(=O)C1(CCCCC1)NC(=O)[C@@H](CCCC(O)=O)NC(=O)[C@@H](CCCCNC(=O)C=Cc1cccnc1)NC(=O)c1cccc(Nc2nc3ccc(Br)cc3[nH]2)c1 |r,w:31.32| Show InChI InChI=1S/C41H48BrN9O7/c42-28-16-17-30-33(24-28)50-40(49-30)46-29-11-6-10-27(23-29)36(55)47-31(12-2-5-22-45-34(52)18-15-26-9-8-21-44-25-26)37(56)48-32(13-7-14-35(53)54)38(57)51-41(39(43)58)19-3-1-4-20-41/h6,8-11,15-18,21,23-25,31-32H,1-5,7,12-14,19-20,22H2,(H2,43,58)(H,45,52)(H,47,55)(H,48,56)(H,51,57)(H,53,54)(H2,46,49,50)/t31-,32-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human integrin alpha-4-beta-1-mediated MOLT4 cell adhesion to biotin-conjugated CS-1 peptide				J Med Chem 52: 14-9 (2009) Article DOI: 10.1021/jm800313f BindingDB Entry DOI: 10.7270/Q2DF6R23
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