BDBM50098507 2-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-ylmethyleneaminooxy)-acetamide::CHEMBL6264

SMILES: Cc1ccc(Sc2cncc3sc(\C=N\OCC(N)=O)cc23)cc1

InChI Key: InChIKey=QDZRLXYXCIDAIW-IFRROFPPSA-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 = 50098507   

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))	BDBM50098507 (2-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-ylmeth...) Show SMILES Cc1ccc(Sc2cncc3sc(\C=N\OCC(N)=O)cc23)cc1 Show InChI InChI=1S/C17H15N3O2S2/c1-11-2-4-12(5-3-11)23-15-8-19-9-16-14(15)6-13(24-16)7-20-22-10-17(18)21/h2-9H,10H2,1H3,(H2,18,21)/b20-7+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (Homo sapiens (Human))	BDBM50098507 (2-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-ylmeth...) Show SMILES Cc1ccc(Sc2cncc3sc(\C=N\OCC(N)=O)cc23)cc1 Show InChI InChI=1S/C17H15N3O2S2/c1-11-2-4-12(5-3-11)23-15-8-19-9-16-14(15)6-13(24-16)7-20-22-10-17(18)21/h2-9H,10H2,1H3,(H2,18,21)/b20-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+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 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
Selectin E (Homo sapiens (Human))	BDBM50098507 (2-(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-ylmeth...) Show SMILES Cc1ccc(Sc2cncc3sc(\C=N\OCC(N)=O)cc23)cc1 Show InChI InChI=1S/C17H15N3O2S2/c1-11-2-4-12(5-3-11)23-15-8-19-9-16-14(15)6-13(24-16)7-20-22-10-17(18)21/h2-9H,10H2,1H3,(H2,18,21)/b20-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	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