BDBM50098514 4-(2,4-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyridine-2-carboxylic acid amide::CHEMBL6830

SMILES: Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)c(C)c1

InChI Key: InChIKey=QFOXETVRYKJOAL-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 = 50098514   

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))	BDBM50098514 (4-(2,4-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyrid...) Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)c(C)c1 Show InChI InChI=1S/C16H14N2OS2/c1-9-3-4-12(10(2)5-9)20-14-7-18-8-15-11(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)	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	43	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
VCAM-1 (Homo sapiens (Human))	BDBM50098514 (4-(2,4-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyrid...) Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)c(C)c1 Show InChI InChI=1S/C16H14N2OS2/c1-9-3-4-12(10(2)5-9)20-14-7-18-8-15-11(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	770	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
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (Homo sapiens (Human))	BDBM50098514 (4-(2,4-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyrid...) Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)c(C)c1 Show InChI InChI=1S/C16H14N2OS2/c1-9-3-4-12(10(2)5-9)20-14-7-18-8-15-11(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)	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	54	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