null

SMILES: CC1CCC(C[C@H](CC(=O)N2CCOCC2)C(=O)N[C@@]2(CCN(C2)C2CCCCC2)C#N)CC1

InChI Key: InChIKey=OIKYVJJCWDKIHH-JKWBAYBHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50208837   

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 S (Homo sapiens (Human))	BDBM50208837 ((R)-N-((R)-3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-...) Show SMILES CC1CCC(C[C@H](CC(=O)N2CCOCC2)C(=O)N[C@@]2(CCN(C2)C2CCCCC2)C#N)CC1 |wU:6.6,19.19,wD:19.32,(26.54,4.09,;25.2,3.32,;25.21,1.77,;23.88,1,;22.55,1.77,;21.23,.99,;21.24,-.56,;19.9,-1.32,;18.57,-.55,;18.57,.99,;17.23,-1.31,;15.9,-.54,;14.58,-1.31,;14.58,-2.85,;15.9,-3.62,;17.23,-2.85,;22.57,-1.32,;22.58,-2.86,;23.9,-.55,;25.24,-1.32,;24.77,-2.78,;26.01,-3.69,;27.26,-2.78,;26.78,-1.32,;28.72,-3.26,;29.03,-4.76,;30.49,-5.24,;31.64,-4.21,;31.32,-2.7,;29.85,-2.22,;25.98,.04,;26.71,1.4,;22.53,3.3,;23.87,4.08,)| Show InChI InChI=1S/C27H44N4O3/c1-21-7-9-22(10-8-21)17-23(18-25(32)30-13-15-34-16-14-30)26(33)29-27(19-28)11-12-31(20-27)24-5-3-2-4-6-24/h21-24H,2-18,20H2,1H3,(H,29,33)/t21?,22?,23-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13.8	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 2465-9 (2007) Article DOI: 10.1016/j.bmcl.2007.02.046 BindingDB Entry DOI: 10.7270/Q24X57G7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50208837 ((R)-N-((R)-3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-...) Show SMILES CC1CCC(C[C@H](CC(=O)N2CCOCC2)C(=O)N[C@@]2(CCN(C2)C2CCCCC2)C#N)CC1 |wU:6.6,19.19,wD:19.32,(26.54,4.09,;25.2,3.32,;25.21,1.77,;23.88,1,;22.55,1.77,;21.23,.99,;21.24,-.56,;19.9,-1.32,;18.57,-.55,;18.57,.99,;17.23,-1.31,;15.9,-.54,;14.58,-1.31,;14.58,-2.85,;15.9,-3.62,;17.23,-2.85,;22.57,-1.32,;22.58,-2.86,;23.9,-.55,;25.24,-1.32,;24.77,-2.78,;26.01,-3.69,;27.26,-2.78,;26.78,-1.32,;28.72,-3.26,;29.03,-4.76,;30.49,-5.24,;31.64,-4.21,;31.32,-2.7,;29.85,-2.22,;25.98,.04,;26.71,1.4,;22.53,3.3,;23.87,4.08,)| Show InChI InChI=1S/C27H44N4O3/c1-21-7-9-22(10-8-21)17-23(18-25(32)30-13-15-34-16-14-30)26(33)29-27(19-28)11-12-31(20-27)24-5-3-2-4-6-24/h21-24H,2-18,20H2,1H3,(H,29,33)/t21?,22?,23-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 2465-9 (2007) Article DOI: 10.1016/j.bmcl.2007.02.046 BindingDB Entry DOI: 10.7270/Q24X57G7
					More data for this Ligand-Target Pair