Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Intercellular adhesion molecule 1' and Ligand = 'BDBM50098475'   

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
Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50098475 (4-(2-Methyl-furan-3-ylsulfanyl)-thieno[2,3-c]pyrid...) Show SMILES Cc1occc1Sc1cncc2sc(cc12)C(N)=O Show InChI InChI=1S/C13H10N2O2S2/c1-7-9(2-3-17-7)18-11-5-15-6-12-8(11)4-10(19-12)13(14)16/h2-6H,1H3,(H2,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	570	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 intercellular adhesion molecule-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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