BDBM50372994 CHEMBL270407
SMILES: COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=S)c2c(Cl)cccc2Cl)C(O)=O)cc1
InChI Key: InChIKey=KAPPMFUDCROIMR-INIZCTEOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human)) | BDBM50372994 (CHEMBL270407) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1 | Bioorg Med Chem Lett 18: 1331-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.022 BindingDB Entry DOI: 10.7270/Q2TD9Z6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin α4β7 (Homo sapiens (Human)) | BDBM50372994 (CHEMBL270407) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Inhibition of human integrin alpha-4-beta-7-mediated K562 cell adhesion to immobilized MAdCAM1 | Bioorg Med Chem Lett 18: 1331-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.022 BindingDB Entry DOI: 10.7270/Q2TD9Z6W | |||||||||||
More data for this Ligand-Target Pair |