Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50068586'   

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))	BDBM50068586 (1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carb...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)ccc1OC Show InChI InChI=1S/C24H35NO6/c1-6-24(2,3)21(26)22(27)25-14-8-7-11-19(25)23(28)31-15-9-10-17-16-18(29-4)12-13-20(17)30-5/h12-13,16,19H,6-11,14-15H2,1-5H3	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	12	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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