Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1' and Ligand = 'BDBM50199037'   

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/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50199037 (4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...) Show SMILES CN1C(=O)N(C(=O)[C@]11CNCC1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H16Cl2N4O2/c1-25-19(28)26(16-7-14(21)6-15(22)8-16)18(27)20(25)11-24-10-17(20)13-4-2-12(9-23)3-5-13/h2-8,17,24H,10-11H2,1H3/t17?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cerep Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of T cell to HUVEC				J Med Chem 49: 6946-9 (2006) Article DOI: 10.1021/jm0610806 BindingDB Entry DOI: 10.7270/Q2SF2XC3
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