Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50080531'   

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))	BDBM50080531 (2-{4-[(R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxo-cyclohe...) Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)N(CC(N)=O)C(=O)C1 Show InChI InChI=1S/C17H26N2O5/c1-9-3-10(2)17(24)12(4-9)13(20)5-11-6-15(22)19(8-14(18)21)16(23)7-11/h9-13,20H,3-8H2,1-2H3,(H2,18,21)/t9-,10-,12-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck Research Unit Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory effect on human FK506 binding protein 12 by means of protease-coupled PPIase assay				J Med Chem 42: 3615-22 (1999) Article DOI: 10.1021/jm991038t BindingDB Entry DOI: 10.7270/Q2DB8124
					More data for this Ligand-Target Pair