Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50288768'   

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))	BDBM50288768 ((1R,10S)-14-(3,3-Dimethyl-2-oxo-pentanoyl)-3,8-dio...) Show SMILES CCC(C)(C)C(=O)C(=O)N1C2CCCC1C(=O)OCCCCOC2=O Show InChI InChI=1S/C18H27NO6/c1-4-18(2,3)14(20)15(21)19-12-8-7-9-13(19)17(23)25-11-6-5-10-24-16(12)22/h12-13H,4-11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair