BDBM50098472 (4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-methanol::CHEMBL268530

SMILES: Cc1ccc(Sc2cncc3sc(CO)cc23)cc1

InChI Key: InChIKey=WJRCKUZHLDRTKL-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 = 50098472   

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))	BDBM50098472 ((4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-meth...) Show SMILES Cc1ccc(Sc2cncc3sc(CO)cc23)cc1 Show InChI InChI=1S/C15H13NOS2/c1-10-2-4-11(5-3-10)18-14-7-16-8-15-13(14)6-12(9-17)19-15/h2-8,17H,9H2,1H3	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))	BDBM50098472 ((4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-meth...) Show SMILES Cc1ccc(Sc2cncc3sc(CO)cc23)cc1 Show InChI InChI=1S/C15H13NOS2/c1-10-2-4-11(5-3-10)18-14-7-16-8-15-13(14)6-12(9-17)19-15/h2-8,17H,9H2,1H3	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	540	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))	BDBM50098472 ((4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-meth...) Show SMILES Cc1ccc(Sc2cncc3sc(CO)cc23)cc1 Show InChI InChI=1S/C15H13NOS2/c1-10-2-4-11(5-3-10)18-14-7-16-8-15-13(14)6-12(9-17)19-15/h2-8,17H,9H2,1H3	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	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