Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50068587'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50068587 (1-(2-Cyclohexyl-2-oxo-acetyl)-pyrrolidine-2-carbox...) Show SMILES O=C(OCCCc1ccccc1)C1CCCN1C(=O)C(=O)C1CCCCC1 Show InChI InChI=1S/C22H29NO4/c24-20(18-12-5-2-6-13-18)21(25)23-15-7-14-19(23)22(26)27-16-8-11-17-9-3-1-4-10-17/h1,3-4,9-10,18-19H,2,5-8,11-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	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
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