Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin beta-2/Intercellular adhesion molecule 1' and Ligand = 'BDBM50324814'   

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 beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50324814 ((S)-3-acetamido-2-(5,7-dichloro-2-(4-chlorobenzoyl...) Show SMILES CC(=O)NC[C@H](NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C22H20Cl3N3O5/c1-11(29)26-9-17(22(32)33)27-20(30)18-16(24)8-13-10-28(7-6-15(13)19(18)25)21(31)12-2-4-14(23)5-3-12/h2-5,8,17H,6-7,9-10H2,1H3,(H,26,29)(H,27,30)(H,32,33)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay				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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