BDBM50098486 4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxylic acid methoxy-methyl-amide::CHEMBL6517

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

InChI Key: InChIKey=SOQHCJHLGFPETK-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 = 50098486   

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))	BDBM50098486 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...) Show SMILES CON(C)C(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Show InChI InChI=1S/C17H16N2O2S2/c1-11-4-6-12(7-5-11)22-15-9-18-10-16-13(15)8-14(23-16)17(20)19(2)21-3/h4-10H,1-3H3	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	60	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))	BDBM50098486 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...) Show SMILES CON(C)C(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Show InChI InChI=1S/C17H16N2O2S2/c1-11-4-6-12(7-5-11)22-15-9-18-10-16-13(15)8-14(23-16)17(20)19(2)21-3/h4-10H,1-3H3	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
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (Homo sapiens (Human))	BDBM50098486 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...) Show SMILES CON(C)C(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Show InChI InChI=1S/C17H16N2O2S2/c1-11-4-6-12(7-5-11)22-15-9-18-10-16-13(15)8-14(23-16)17(20)19(2)21-3/h4-10H,1-3H3	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	99	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