BDBM50068560 1-Phenylmethanesulfonyl-piperidine-2-carboxylic acid 1-benzyl-4-phenyl-butyl ester::CHEMBL346171

SMILES: O=C(OC(CCCc1ccccc1)Cc1ccccc1)C1CCCCN1S(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=NXBWZXFSWHTBRO-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 = 50068560   

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))	BDBM50068560 (1-Phenylmethanesulfonyl-piperidine-2-carboxylic ac...) Show SMILES O=C(OC(CCCc1ccccc1)Cc1ccccc1)C1CCCCN1S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C30H35NO4S/c32-30(29-21-10-11-22-31(29)36(33,34)24-27-17-8-3-9-18-27)35-28(23-26-15-6-2-7-16-26)20-12-19-25-13-4-1-5-14-25/h1-9,13-18,28-29H,10-12,19-24H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	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