BDBM50107176 1-{3-[2,3-Dichloro-4-(1-methyl-1H-indol-5-ylsulfanyl)-phenyl]-acryloyl}-piperidine-4-carboxylic acid::CHEMBL138185
SMILES: Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(Cl)c3Cl)ccc12
InChI Key: InChIKey=AIXJUFNJLMLMNA-XVNBXDOJSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha-L (Homo sapiens (Human)) | BDBM50107176 (1-{3-[2,3-Dichloro-4-(1-methyl-1H-indol-5-ylsulfan...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | 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 (ICAM-1) binding to recombinant LFA-1, range (6-6) | J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-L/beta-2 (Homo sapiens (Human)) | BDBM50107176 (1-{3-[2,3-Dichloro-4-(1-methyl-1H-indol-5-ylsulfan...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (1-10) | J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN | |||||||||||
More data for this Ligand-Target Pair |