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 = 'BDBM50123242'   

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))	BDBM50123242 ((S)-2-{(3S,5R)-4-[2-(4-Bromo-phenyl)-acetyl]-3-iso...) Show SMILES CC(C)C[C@@H]1N([C@H](C)CCN([C@@H](Cc2ccc3ccccc3c2)C(N)=O)C1=O)C(=O)Cc1ccc(Br)cc1 Show InChI InChI=1S/C31H36BrN3O3/c1-20(2)16-28-31(38)34(15-14-21(3)35(28)29(36)19-22-9-12-26(32)13-10-22)27(30(33)37)18-23-8-11-24-6-4-5-7-25(24)17-23/h4-13,17,20-21,27-28H,14-16,18-19H2,1-3H3,(H2,33,37)/t21-,27+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of LFA-1/ICAM-1 interaction in ELISA				Bioorg Med Chem Lett 13: 499-502 (2003) BindingDB Entry DOI: 10.7270/Q29K49K4
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