BDBM19741 2-Cyano-pyrimidine, 17f::2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}ethyl)pyrimidine-5-carboxamide
SMILES: CN1CCN(Cc2ccc(CCNC(=O)c3cnc(nc3NCC(C)(C)C)C#N)cc2)CC1
InChI Key: InChIKey=GASCFELIQZXIAB-UHFFFAOYSA-N
Data: 3 IC50
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)) | BDBM19741 (2-Cyano-pyrimidine, 17f | 2-cyano-4-[(2,2-dimethyl...) | 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 | 0.0110 | 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)) | BDBM19741 (2-Cyano-pyrimidine, 17f | 2-cyano-4-[(2,2-dimethyl...) | 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 | 2.5 | 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)) | BDBM19741 (2-Cyano-pyrimidine, 17f | 2-cyano-4-[(2,2-dimethyl...) | 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 | 0.330 | 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 |