Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-L' and Ligand = 'BDBM50263599'   

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))	BDBM50263599 ((E)-3-(4-(3-(cyclopentylamino)phenylthio)-2,3-bis(...) Show SMILES FC(F)(F)c1c(Sc2cccc(NC3CCCC3)c2)ccc(\C=C\C(=O)N2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C26H26F6N2O2S/c27-25(28,29)23-17(9-11-22(35)34-12-14-36-15-13-34)8-10-21(24(23)26(30,31)32)37-20-7-3-6-19(16-20)33-18-4-1-2-5-18/h3,6-11,16,18,33H,1-2,4-5,12-15H2/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method				Bioorg Med Chem Lett 18: 5249-51 (2008) Article DOI: 10.1016/j.bmcl.2008.08.061 BindingDB Entry DOI: 10.7270/Q2CV4HK0
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