BDBM86094 2-Cyanopyrrolidine Derivative, 23

SMILES: COc1ccc(\C=C\C(=O)NC(CC(C)C)C(=O)N2CCC[C@H]2C#N)cc1

InChI Key: InChIKey=SDEBVHUVRONJEX-SQYMMIEDSA-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 = 86094   

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))	BDBM86094 (2-Cyanopyrrolidine Derivative, 23) Show SMILES COc1ccc(\C=C\C(=O)NC(CC(C)C)C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C21H27N3O3/c1-15(2)13-19(21(26)24-12-4-5-17(24)14-22)23-20(25)11-8-16-6-9-18(27-3)10-7-16/h6-11,15,17,19H,4-5,12-13H2,1-3H3,(H,23,25)/b11-8+/t17-,19?/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	6.70E+4	-5.65	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))	BDBM86094 (2-Cyanopyrrolidine Derivative, 23) Show SMILES COc1ccc(\C=C\C(=O)NC(CC(C)C)C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C21H27N3O3/c1-15(2)13-19(21(26)24-12-4-5-17(24)14-22)23-20(25)11-8-16-6-9-18(27-3)10-7-16/h6-11,15,17,19H,4-5,12-13H2,1-3H3,(H,23,25)/b11-8+/t17-,19?/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	9.20E+4	-5.47	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