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 = 'BDBM50125227'   

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))	BDBM50125227 ((S)-2-(2-Bromo-benzoylamino)-3-(5-hydroxy-1H-indol...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C18H15BrN2O4/c19-14-4-2-1-3-12(14)17(23)21-16(18(24)25)7-10-9-20-15-6-5-11(22)8-13(10)15/h1-6,8-9,16,20,22H,7H2,(H,21,23)(H,24,25)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings				Bioorg Med Chem Lett 13: 1015-8 (2003) BindingDB Entry DOI: 10.7270/Q2K35V6V
					More data for this Ligand-Target Pair