BDBM19742 2-Cyano-pyrimidine, 17g::2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}ethyl)pyrimidine-5-carboxamide

SMILES: CN1CCC(CC1)Oc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1

InChI Key: InChIKey=AKAUMTCIIOMDTI-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 19742   

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 K (Homo sapiens (Human))	BDBM19742 (2-Cyano-pyrimidine, 17g | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CN1CCC(CC1)Oc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1 Show InChI InChI=1S/C25H34N6O2/c1-25(2,3)17-29-23-21(16-28-22(15-26)30-23)24(32)27-12-9-18-5-7-19(8-6-18)33-20-10-13-31(4)14-11-20/h5-8,16,20H,9-14,17H2,1-4H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0130	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19742 (2-Cyano-pyrimidine, 17g | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CN1CCC(CC1)Oc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1 Show InChI InChI=1S/C25H34N6O2/c1-25(2,3)17-29-23-21(16-28-22(15-26)30-23)24(32)27-12-9-18-5-7-19(8-6-18)33-20-10-13-31(4)14-11-20/h5-8,16,20H,9-14,17H2,1-4H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19742 (2-Cyano-pyrimidine, 17g | 2-cyano-4-[(2,2-dimethyl...) Show SMILES CN1CCC(CC1)Oc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1 Show InChI InChI=1S/C25H34N6O2/c1-25(2,3)17-29-23-21(16-28-22(15-26)30-23)24(32)27-12-9-18-5-7-19(8-6-18)33-20-10-13-31(4)14-11-20/h5-8,16,20H,9-14,17H2,1-4H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	5.5	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 50: 591-4 (2007) Article DOI: 10.1021/jm0613525 BindingDB Entry DOI: 10.7270/Q22805X5
					More data for this Ligand-Target Pair