BDBM50113056 1-Phenylmethanesulfonyl-piperidine-2-carboxylic acid 3-(4-methoxy-phenyl)-propyl ester::CHEMBL286230

SMILES: COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1

InChI Key: InChIKey=ODRIFPHNSHOZGS-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 = 50113056   

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))	BDBM50113056 (1-Phenylmethanesulfonyl-piperidine-2-carboxylic ac...) Show SMILES COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C23H29NO5S/c1-28-21-14-12-19(13-15-21)10-7-17-29-23(25)22-11-5-6-16-24(22)30(26,27)18-20-8-3-2-4-9-20/h2-4,8-9,12-15,22H,5-7,10-11,16-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12				Bioorg Med Chem Lett 12: 1421-8 (2002) BindingDB Entry DOI: 10.7270/Q279441H
					More data for this Ligand-Target Pair