BDBM50156087 9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-9H-PURINE-2-CARBONITRILE::9-cyclopentyl-6-({2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}amino)-9H-purine-2-carbonitrile::9-cyclopentyl-6-{2-[3-(4-methylpiperazin-1-yl)propoxy]phenylamino}-9H-purine-2-carbonitrile::CHEMBL188139::NVP-ABJ688
SMILES: CN1CCN(CCCOc2ccccc2Nc2nc(nc3n(cnc23)C2CCCC2)C#N)CC1
InChI Key: InChIKey=VWGLHPDSAYQVRM-UHFFFAOYSA-N
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)) | BDBM50156087![]() (9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PR...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEBI CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibitory concentration against recombinant human cathepsin K by using Z-Phe-Arg-AMC as synthetic substrate | J Med Chem 47: 5833-6 (2004) Article DOI: 10.1021/jm0493111 BindingDB Entry DOI: 10.7270/Q2862FWZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50156087![]() (9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PR...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEBI CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibitory concentration against recombinant human cathepsin S by using Z-Leu-Leu-Arg-AMC as synthetic substrate | J Med Chem 47: 5833-6 (2004) Article DOI: 10.1021/jm0493111 BindingDB Entry DOI: 10.7270/Q2862FWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin L1 (Homo sapiens (Human)) | BDBM50156087![]() (9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PR...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | CHEBI CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibitory concentration against recombinant human cathepsin L by using Z-Phe-Arg-AMC as synthetic substrate | J Med Chem 47: 5833-6 (2004) Article DOI: 10.1021/jm0493111 BindingDB Entry DOI: 10.7270/Q2862FWZ | |||||||||||
More data for this Ligand-Target Pair |