BDBM50068568 1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 3-phenoxy-benzyl ester::CHEMBL150062

SMILES: COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OCc1cccc(Oc2ccccc2)c1

InChI Key: InChIKey=SHFDRUNMTYYHLY-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50068568   

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
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50068568 (1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piper...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C30H31NO8/c1-35-25-17-21(18-26(36-2)28(25)37-3)27(32)29(33)31-15-8-7-14-24(31)30(34)38-19-20-10-9-13-23(16-20)39-22-11-5-4-6-12-22/h4-6,9-13,16-18,24H,7-8,14-15,19H2,1-3H3	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	18	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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