BDBM50098487 4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxylic acid methoxy-amide::CHEMBL269075

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

InChI Key: InChIKey=YLPWORNATWTQBL-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 = 50098487   

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
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (Homo sapiens (Human))	BDBM50098487 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...) Show SMILES CONC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Show InChI InChI=1S/C16H14N2O2S2/c1-10-3-5-11(6-4-10)21-14-8-17-9-15-12(14)7-13(22-15)16(19)18-20-2/h3-9H,1-2H3,(H,18,19)	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	170	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))	BDBM50098487 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...) Show SMILES CONC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Show InChI InChI=1S/C16H14N2O2S2/c1-10-3-5-11(6-4-10)21-14-8-17-9-15-12(14)7-13(22-15)16(19)18-20-2/h3-9H,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10E+4	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
Selectin E (Homo sapiens (Human))	BDBM50098487 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...) Show SMILES CONC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Show InChI InChI=1S/C16H14N2O2S2/c1-10-3-5-11(6-4-10)21-14-8-17-9-15-12(14)7-13(22-15)16(19)18-20-2/h3-9H,1-2H3,(H,18,19)	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	88	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