BDBM50098523 4-(4-Chloro-benzylsulfanyl)-thieno[2,3-c]pyridine-2-carboxylic acid amide::CHEMBL269570

SMILES: NC(=O)c1cc2c(SCc3ccc(Cl)cc3)cncc2s1

InChI Key: InChIKey=NXPULJKXDBZNKI-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 = 50098523   

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))	BDBM50098523 (4-(4-Chloro-benzylsulfanyl)-thieno[2,3-c]pyridine-...) Show SMILES NC(=O)c1cc2c(SCc3ccc(Cl)cc3)cncc2s1 Show InChI InChI=1S/C15H11ClN2OS2/c16-10-3-1-9(2-4-10)8-20-13-6-18-7-14-11(13)5-12(21-14)15(17)19/h1-7H,8H2,(H2,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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))	BDBM50098523 (4-(4-Chloro-benzylsulfanyl)-thieno[2,3-c]pyridine-...) Show SMILES NC(=O)c1cc2c(SCc3ccc(Cl)cc3)cncc2s1 Show InChI InChI=1S/C15H11ClN2OS2/c16-10-3-1-9(2-4-10)8-20-13-6-18-7-14-11(13)5-12(21-14)15(17)19/h1-7H,8H2,(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	PubMed	n/a	n/a	340	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))	BDBM50098523 (4-(4-Chloro-benzylsulfanyl)-thieno[2,3-c]pyridine-...) Show SMILES NC(=O)c1cc2c(SCc3ccc(Cl)cc3)cncc2s1 Show InChI InChI=1S/C15H11ClN2OS2/c16-10-3-1-9(2-4-10)8-20-13-6-18-7-14-11(13)5-12(21-14)15(17)19/h1-7H,8H2,(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	PubMed	n/a	n/a	690	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