BDBM50219594 5-[3-(1-acetylpiperidin-4-ylamino)phenyl]-4-bromo-3-carboxymethoxythiophene-2-carboxylic acid::CHEMBL396554
SMILES: CC(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
InChI Key: InChIKey=BUFGKAAYFGVTPN-UHFFFAOYSA-N
Data: 1 KI
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 |
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Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50219594 (5-[3-(1-acetylpiperidin-4-ylamino)phenyl]-4-bromo-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of human recombinant PTP1B | J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |