BDBM50068578 1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(2-pyridin-3-yl-ethyl)-butyl ester::CHEMBL150120

SMILES: COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCc1cccnc1

InChI Key: InChIKey=YPRLGSOZMUAPIW-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 = 50068578   

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))	BDBM50068578 (1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piper...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCc1cccnc1 Show InChI InChI=1S/C34H40N2O7/c1-40-29-21-26(22-30(41-2)32(29)42-3)31(37)33(38)36-20-8-7-16-28(36)34(39)43-27(18-17-25-14-10-19-35-23-25)15-9-13-24-11-5-4-6-12-24/h4-6,10-12,14,19,21-23,27-28H,7-9,13,15-18,20H2,1-3H3	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	3	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
					More data for this Ligand-Target Pair