BDBM50068593 1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-(2,5-dimethoxy-phenyl)-propyl ester::CHEMBL357415

SMILES: CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1cc(OC)ccc1OC

InChI Key: InChIKey=OSGKGWGVZYXHLT-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 = 50068593   

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))	BDBM50068593 (1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-car...) Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1cc(OC)ccc1OC Show InChI InChI=1S/C23H33NO6/c1-6-23(2,3)20(25)21(26)24-13-7-10-18(24)22(27)30-14-8-9-16-15-17(28-4)11-12-19(16)29-5/h11-12,15,18H,6-10,13-14H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	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