BDBM50068572 1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid 4-phenyl-1-(3-phenyl-propyl)-butyl ester::CHEMBL298173
SMILES: CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1
InChI Key: InChIKey=GOPXHESWWYMFCB-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human)) | BDBM50068572 (1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase activity | J Med Chem 41: 5119-43 (1999) Article DOI: 10.1021/jm980307x BindingDB Entry DOI: 10.7270/Q22B8ZP8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
FK506 binding protein 12 (Gallus gallus) | BDBM50068572 (1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...) | PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of binding to FKBP12 receptor | Bioorg Med Chem Lett 7: 1785-1790 (1997) Article DOI: 10.1016/S0960-894X(97)00304-1 BindingDB Entry DOI: 10.7270/Q2PZ58TF | |||||||||||
More data for this Ligand-Target Pair |