BDBM23317 3,3-dimethyl-1-[(2S)-2-pentanoylpyrrolidin-1-yl]pentane-1,2-dione::N-Glyoxylprolyl ketone, 5a

SMILES: CCCCC(=O)[C@@H]1CCCN1C(=O)C(=O)C(C)(C)CC

InChI Key: InChIKey=OASVPLXLSUCYOV-LBPRGKRZSA-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 = 23317   

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 (Bos taurus (bovine))	BDBM23317 (3,3-dimethyl-1-[(2S)-2-pentanoylpyrrolidin-1-yl]pe...) Show SMILES CCCCC(=O)[C@@H]1CCCN1C(=O)C(=O)C(C)(C)CC |r| Show InChI InChI=1S/C16H27NO3/c1-5-7-10-13(18)12-9-8-11-17(12)15(20)14(19)16(3,4)6-2/h12H,5-11H2,1-4H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	-7.12	n/a	n/a	n/a	n/a	n/a	8.0	0
Guilford Pharmaceuticals, Inc.					Assay Description PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...				J Med Chem 45: 3558-68 (2002) Article DOI: 10.1021/jm0200456 BindingDB Entry DOI: 10.7270/Q2GH9G7G
					More data for this Ligand-Target Pair