BDBM50116636 1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carbothioic acid S-(3-pyridin-3-yl-propyl) ester::CHEMBL118858
SMILES: CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1cccnc1
InChI Key: InChIKey=JWNBMKLACCJEGG-INIZCTEOSA-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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Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human)) | BDBM50116636 (1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-car...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guilford Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against FK506 binding protein 12 | J Med Chem 45: 3549-57 (2002) BindingDB Entry DOI: 10.7270/Q2416WC5 | |||||||||||
More data for this Ligand-Target Pair |