BDBM50105175 4-(4-{2-[2-(2-Ethoxy-ethoxy)-ethoxy]-1,1-difluoro-ethyl}-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid methylamide::CHEMBL115431

SMILES: CCOCCOCCOCC(F)(F)c1ccc(Oc2cncc3sc(cc23)C(=O)NC)cc1

InChI Key: InChIKey=JMJICFDZSPGFFM-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 = 50105175   

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
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105175 (4-(4-{2-[2-(2-Ethoxy-ethoxy)-ethoxy]-1,1-difluoro-...) Show SMILES CCOCCOCCOCC(F)(F)c1ccc(Oc2cncc3sc(cc23)C(=O)NC)cc1 Show InChI InChI=1S/C23H26F2N2O5S/c1-3-29-8-9-30-10-11-31-15-23(24,25)16-4-6-17(7-5-16)32-19-13-27-14-21-18(19)12-20(33-21)22(28)26-2/h4-7,12-14H,3,8-11,15H2,1-2H3,(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	170	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
E-selectin (Homo sapiens (Human))	BDBM50105175 (4-(4-{2-[2-(2-Ethoxy-ethoxy)-ethoxy]-1,1-difluoro-...) Show SMILES CCOCCOCCOCC(F)(F)c1ccc(Oc2cncc3sc(cc23)C(=O)NC)cc1 Show InChI InChI=1S/C23H26F2N2O5S/c1-3-29-8-9-30-10-11-31-15-23(24,25)16-4-6-17(7-5-16)32-19-13-27-14-21-18(19)12-20(33-21)22(28)26-2/h4-7,12-14H,3,8-11,15H2,1-2H3,(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	110	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
Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50105175 (4-(4-{2-[2-(2-Ethoxy-ethoxy)-ethoxy]-1,1-difluoro-...) Show SMILES CCOCCOCCOCC(F)(F)c1ccc(Oc2cncc3sc(cc23)C(=O)NC)cc1 Show InChI InChI=1S/C23H26F2N2O5S/c1-3-29-8-9-30-10-11-31-15-23(24,25)16-4-6-17(7-5-16)32-19-13-27-14-21-18(19)12-20(33-21)22(28)26-2/h4-7,12-14H,3,8-11,15H2,1-2H3,(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	26	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