BDBM50105186 4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid methylamide::CHEMBL119501
SMILES: CNC(=O)c1cc2c(Oc3ccc(cc3)C(F)(F)F)cncc2s1
InChI Key: InChIKey=PEOGZQMDIONZGY-UHFFFAOYSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (Homo sapiens (Human)) | BDBM50105186 (4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridin...) | 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 | 1 | 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)) | BDBM50105186 (4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridin...) | 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 | 0.700 | 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 | |||||||||||||
VCAM-1 (Homo sapiens (Human)) | BDBM50105186 (4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridin...) | 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 |