BDBM50098475 4-(2-Methyl-furan-3-ylsulfanyl)-thieno[2,3-c]pyridine-2-carboxylic acid amide::CHEMBL267938

SMILES: Cc1occc1Sc1cncc2sc(cc12)C(N)=O

InChI Key: InChIKey=MHUNFXUJVKCTBU-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 = 50098475   

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
VCAM-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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+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
Selectin E (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	600	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))	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 UniProtKB/TrEMBL 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
					More data for this Ligand-Target Pair