BDBM50119097 (S)-3-(4-Allylcarbamoyloxy-phenyl)-2-(2-chloro-benzoylamino)-propionic acid::CHEMBL100164
SMILES: OC(=O)[C@H](Cc1ccc(OC(=O)NCC=C)cc1)NC(=O)c1ccccc1Cl
InChI Key: InChIKey=GDOCTXXUSWKFKD-KRWDZBQOSA-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)) | BDBM50119097 ((S)-3-(4-Allylcarbamoyloxy-phenyl)-2-(2-chloro-ben...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay | Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin α4β7 (Homo sapiens (Human)) | BDBM50119097 ((S)-3-(4-Allylcarbamoyloxy-phenyl)-2-(2-chloro-ben...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay | Bioorg Med Chem Lett 12: 2913-7 (2002) BindingDB Entry DOI: 10.7270/Q2X34WT2 | |||||||||||
More data for this Ligand-Target Pair |