Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-L/beta-2' and Ligand = 'BDBM50098756'   

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/beta-2 (Homo sapiens (Human))	BDBM50098756 (1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(5-chlor...) Show SMILES CCOc1c(Sc2ccc(\C=C\C(=O)N3CCN(CC3)C(C)=O)cc2Cl)cc(Cl)c2cccnc12 Show InChI InChI=1S/C26H25Cl2N3O3S/c1-3-34-26-23(16-20(27)19-5-4-10-29-25(19)26)35-22-8-6-18(15-21(22)28)7-9-24(33)31-13-11-30(12-14-31)17(2)32/h4-10,15-16H,3,11-14H2,1-2H3/b9-7+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1				J Med Chem 44: 1202-10 (2001) BindingDB Entry DOI: 10.7270/Q22Z14TP
					More data for this Ligand-Target Pair