Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-L' and Ligand = 'BDBM50324810'   

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-L (Homo sapiens (Human))	BDBM50324810 ((S)-2-(5,7-dichloro-2-(4-methylbenzoyl)-1,2,3,4-te...) Show SMILES Cc1ccc(cc1)C(=O)N1CCc2c(C1)cc(Cl)c(C(=O)N[C@@H](CNC(=O)c1cccs1)C(O)=O)c2Cl |r| Show InChI InChI=1S/C26H23Cl2N3O5S/c1-14-4-6-15(7-5-14)25(34)31-9-8-17-16(13-31)11-18(27)21(22(17)28)24(33)30-19(26(35)36)12-29-23(32)20-3-2-10-37-20/h2-7,10-11,19H,8-9,12-13H2,1H3,(H,29,32)(H,30,33)(H,35,36)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated Staphylococcal enterotoxin B-stimulated human T cell activation in presence of 10% fetal bovine serum				Bioorg Med Chem Lett 20: 5269-73 (2010) Article DOI: 10.1016/j.bmcl.2010.06.145 BindingDB Entry DOI: 10.7270/Q2N58MKB
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