BDBM86096 2-Cyanopyrrolidine Derivative, 25

SMILES: CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=ILGWIBADMXULKO-VYRBHSGPSA-N

Data: 2 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 2 hits for monomerid = 86096   

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
Cathepsin B (Homo sapiens (Human))	BDBM86096 (2-Cyanopyrrolidine Derivative, 25) Show SMILES CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H23N3O2/c1-13(2)11-16(18(23)21-10-6-9-15(21)12-19)20-17(22)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-11H2,1-2H3,(H,20,22)/t15-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.60E+3	-6.86	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM86096 (2-Cyanopyrrolidine Derivative, 25) Show SMILES CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H23N3O2/c1-13(2)11-16(18(23)21-10-6-9-15(21)12-19)20-17(22)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-11H2,1-2H3,(H,20,22)/t15-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-5.42	n/a	n/a	n/a	n/a	n/a	6.0	23
The M S University of Baroda					Assay Description The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm. Th...				J Enzyme Inhib Med Chem 23: 190-7 (2008) Article DOI: 10.1080/14756360701504842 BindingDB Entry DOI: 10.7270/Q2DV1HFC
					More data for this Ligand-Target Pair