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 = 'BDBM50324815'   

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))	BDBM50324815 ((S)-3-(cyclohexanecarboxamido)-2-(5,7-dichloro-2-(...) Show SMILES OC(=O)[C@H](CNC(=O)C1CCCCC1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H28Cl3N3O5/c28-18-8-6-16(7-9-18)26(36)33-11-10-19-17(14-33)12-20(29)22(23(19)30)25(35)32-21(27(37)38)13-31-24(34)15-4-2-1-3-5-15/h6-9,12,15,21H,1-5,10-11,13-14H2,(H,31,34)(H,32,35)(H,37,38)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	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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