Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vascular cell adhesion protein 1' and Ligand = 'BDBM50098490'   

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))	BDBM50098490 (4-(4-Trifluoromethyl-phenylsulfanyl)-thieno[2,3-c]...) Show SMILES NC(=O)c1cc2c(Sc3ccc(cc3)C(F)(F)F)cncc2s1 Show InChI InChI=1S/C15H9F3N2OS2/c16-15(17,18)8-1-3-9(4-2-8)22-12-6-20-7-13-10(12)5-11(23-13)14(19)21/h1-7H,(H2,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro potency against TNF alpha induced expresion of VCAM-1 on human vascular endothelial cells using CAM ELISA assay				J Med Chem 44: 988-1002 (2001) BindingDB Entry DOI: 10.7270/Q2CF9PC4
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