BDBM50067007 (S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester::CHEMBL338562
SMILES: CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1ccccc1
InChI Key: InChIKey=NDOQQTZEXVGVQK-KRWDZBQOSA-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)) | BDBM50067007 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description The compound was tested for binding affinity against rotamase | J Med Chem 41: 3928-39 (1998) Article DOI: 10.1021/jm980062o BindingDB Entry DOI: 10.7270/Q2SB44W1 | |||||||||||
More data for this Ligand-Target Pair |