BDBM50105172 4-[4-(2-Methoxy-ethoxymethyl)-phenoxy]-thieno[2,3-c]pyridine-2-carboxylic acid amide::CHEMBL117668

SMILES: COCCOCc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1

InChI Key: InChIKey=BSGWENRJMHCCLG-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 = 50105172   

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))	BDBM50105172 (4-[4-(2-Methoxy-ethoxymethyl)-phenoxy]-thieno[2,3-...) Show SMILES COCCOCc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C18H18N2O4S/c1-22-6-7-23-11-12-2-4-13(5-3-12)24-15-9-20-10-17-14(15)8-16(25-17)18(19)21/h2-5,8-10H,6-7,11H2,1H3,(H2,19,21)	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 Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (Homo sapiens (Human))	BDBM50105172 (4-[4-(2-Methoxy-ethoxymethyl)-phenoxy]-thieno[2,3-...) Show SMILES COCCOCc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C18H18N2O4S/c1-22-6-7-23-11-12-2-4-13(5-3-12)24-15-9-20-10-17-14(15)8-16(25-17)18(19)21/h2-5,8-10H,6-7,11H2,1H3,(H2,19,21)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Selectin E (Homo sapiens (Human))	BDBM50105172 (4-[4-(2-Methoxy-ethoxymethyl)-phenoxy]-thieno[2,3-...) Show SMILES COCCOCc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C18H18N2O4S/c1-22-6-7-23-11-12-2-4-13(5-3-12)24-15-9-20-10-17-14(15)8-16(25-17)18(19)21/h2-5,8-10H,6-7,11H2,1H3,(H2,19,21)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of selectin E in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair