BDBM50098490 4-(4-Trifluoromethyl-phenylsulfanyl)-thieno[2,3-c]pyridine-2-carboxylic acid amide::CHEMBL6542
SMILES: NC(=O)c1cc2c(Sc3ccc(cc3)C(F)(F)F)cncc2s1
InChI Key: InChIKey=VIAAOSSEVPAHGM-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)) | BDBM50098490 (4-(4-Trifluoromethyl-phenylsulfanyl)-thieno[2,3-c]...) | 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 | 39 | 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 | |||||||||||||
Selectin E (Homo sapiens (Human)) | BDBM50098490 (4-(4-Trifluoromethyl-phenylsulfanyl)-thieno[2,3-c]...) | 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 | 44 | 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 | |||||||||||||
VCAM-1 (Homo sapiens (Human)) | BDBM50098490 (4-(4-Trifluoromethyl-phenylsulfanyl)-thieno[2,3-c]...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >100 | 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 |