BDBM50105217 4-(4-{1-[2-(2-Ethoxy-ethoxy)-ethoxymethyl]-cyclopropyl}-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid methylamide::CHEMBL115960

SMILES: CCOCCOCCOCC1(CC1)c1ccc(Oc2cncc3sc(cc23)C(=O)NC)cc1

InChI Key: InChIKey=IFRKZNJFCAWIOW-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 = 50105217   

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
E-selectin (Homo sapiens (Human))	BDBM50105217 (4-(4-{1-[2-(2-Ethoxy-ethoxy)-ethoxymethyl]-cyclopr...) Show SMILES CCOCCOCCOCC1(CC1)c1ccc(Oc2cncc3sc(cc23)C(=O)NC)cc1 Show InChI InChI=1S/C25H30N2O5S/c1-3-29-10-11-30-12-13-31-17-25(8-9-25)18-4-6-19(7-5-18)32-21-15-27-16-23-20(21)14-22(33-23)24(28)26-2/h4-7,14-16H,3,8-13,17H2,1-2H3,(H,26,28)	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	120	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
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105217 (4-(4-{1-[2-(2-Ethoxy-ethoxy)-ethoxymethyl]-cyclopr...) Show SMILES CCOCCOCCOCC1(CC1)c1ccc(Oc2cncc3sc(cc23)C(=O)NC)cc1 Show InChI InChI=1S/C25H30N2O5S/c1-3-29-10-11-30-12-13-31-17-25(8-9-25)18-4-6-19(7-5-18)32-21-15-27-16-23-20(21)14-22(33-23)24(28)26-2/h4-7,14-16H,3,8-13,17H2,1-2H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	420	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 1 (Homo sapiens (Human))	BDBM50105217 (4-(4-{1-[2-(2-Ethoxy-ethoxy)-ethoxymethyl]-cyclopr...) Show SMILES CCOCCOCCOCC1(CC1)c1ccc(Oc2cncc3sc(cc23)C(=O)NC)cc1 Show InChI InChI=1S/C25H30N2O5S/c1-3-29-10-11-30-12-13-31-17-25(8-9-25)18-4-6-19(7-5-18)32-21-15-27-16-23-20(21)14-22(33-23)24(28)26-2/h4-7,14-16H,3,8-13,17H2,1-2H3,(H,26,28)	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	130	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