BDBM50098505 1-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-ethanone::CHEMBL266708

SMILES: CC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1

InChI Key: InChIKey=ZYKASDRUVLHDCC-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50098505   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Selectin E (Homo sapiens (Human))	BDBM50098505 (1-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-et...) Show SMILES CC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Show InChI InChI=1S/C16H13NOS2/c1-10-3-5-12(6-4-10)19-15-8-17-9-16-13(15)7-14(20-16)11(2)18/h3-9H,1-2H3	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	140	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 expression of Selectin E on human vascular endothelial cells using CAM ELISA assay				J Med Chem 44: 988-1002 (2001) BindingDB Entry DOI: 10.7270/Q2CF9PC4
					More data for this Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (Homo sapiens (Human))	BDBM50098505 (1-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-et...) Show SMILES CC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Show InChI InChI=1S/C16H13NOS2/c1-10-3-5-12(6-4-10)19-15-8-17-9-16-13(15)7-14(20-16)11(2)18/h3-9H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	250	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
					More data for this Ligand-Target Pair
VCAM-1 (Homo sapiens (Human))	BDBM50098505 (1-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-et...) Show SMILES CC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Show InChI InChI=1S/C16H13NOS2/c1-10-3-5-12(6-4-10)19-15-8-17-9-16-13(15)7-14(20-16)11(2)18/h3-9H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>4.00E+3	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
					More data for this Ligand-Target Pair