BDBM50258579 (S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylazetidine-3-carboxamide::CHEMBL2448576
SMILES: CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1cc2ccccc2nc1OC
InChI Key: InChIKey=TZDWXEFTYSLGGT-QFIPXVFZSA-N
Data: 8 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histone deacetylase 5 (Homo sapiens (Human)) | BDBM50258579 ((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of wild type His-tagged HDAC5 catalytic domain T678-L1122 expressed in Escherichia coli | J Med Chem 52: 3453-6 (2009) Article DOI: 10.1021/jm9004303 BindingDB Entry DOI: 10.7270/Q2Q24044 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50258579 ((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human C-terminal FLAG-tagged HDAC1 in HEK293 cells | J Med Chem 52: 3453-6 (2009) Article DOI: 10.1021/jm9004303 BindingDB Entry DOI: 10.7270/Q2Q24044 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50258579 ((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human C-terminal FLAG-tagged HDAC2 in HEK293 cells | J Med Chem 52: 3453-6 (2009) Article DOI: 10.1021/jm9004303 BindingDB Entry DOI: 10.7270/Q2Q24044 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50258579 ((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP2C9 | J Med Chem 52: 3453-6 (2009) Article DOI: 10.1021/jm9004303 BindingDB Entry DOI: 10.7270/Q2Q24044 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50258579 ((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal FLAG-tagged HDAC6 expressed in mammalian cells | J Med Chem 52: 3453-6 (2009) Article DOI: 10.1021/jm9004303 BindingDB Entry DOI: 10.7270/Q2Q24044 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 7 (Homo sapiens (Human)) | BDBM50258579 ((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of wild type His-tagged HDAC7 catalytic domain T515-L952 expressed in Escherichia coli | J Med Chem 52: 3453-6 (2009) Article DOI: 10.1021/jm9004303 BindingDB Entry DOI: 10.7270/Q2Q24044 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50258579 ((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His-tagged HDAC8 expressed in Escherichia coli | J Med Chem 52: 3453-6 (2009) Article DOI: 10.1021/jm9004303 BindingDB Entry DOI: 10.7270/Q2Q24044 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50258579 ((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human C-terminal FLAG-tagged HDAC3 in HEK293 cells | J Med Chem 52: 3453-6 (2009) Article DOI: 10.1021/jm9004303 BindingDB Entry DOI: 10.7270/Q2Q24044 | |||||||||||
More data for this Ligand-Target Pair |