Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vascular cell adhesion protein 1' and Ligand = 'BDBM50105195'   

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
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105195 (4-(4-Pyrazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-2...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-n3cccn3)cncc2s1 Show InChI InChI=1S/C18H14N4O2S/c1-19-18(23)16-9-14-15(10-20-11-17(14)25-16)24-13-5-3-12(4-6-13)22-8-2-7-21-22/h2-11H,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
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