Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-L/beta-2' and Ligand = 'BDBM50154498'   

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))	BDBM50154498 ((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...) Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCCCC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C24H23BrCl2N4O3S/c1-24(14-16-5-7-17(25)8-6-16)22(32)30(20-12-18(26)11-19(27)13-20)23-28-15-21(31(23)24)35(33,34)29-9-3-2-4-10-29/h5-8,11-13,15H,2-4,9-10,14H2,1H3/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay				J Med Chem 47: 5356-66 (2004) Article DOI: 10.1021/jm049657b BindingDB Entry DOI: 10.7270/Q2B857MB
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