BDBM23323 3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)pyrrolidin-1-yl]butane-1,2-dione::N-Glyoxylprolyl ketone, 5f

SMILES: CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCc1ccccc1

InChI Key: InChIKey=JMPCPJFWDWPHOY-INIZCTEOSA-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 = 23323   

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
Immunophilin FKBP12 (Bos taurus (bovine))	BDBM23323 (3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)pyrrolidi...) Show SMILES CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCc1ccccc1 |r| Show InChI InChI=1S/C20H27NO3/c1-20(2,3)18(23)19(24)21-14-8-12-16(21)17(22)13-7-11-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	180	-8.42	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