BDBM50078748 CHEMBL3415629
SMILES: C[C@@]1(CCN(C1=O)c1ccc(Cl)cc1)Nc1ccc(cc1)C(=O)NO
InChI Key: InChIKey=JMBODOHYRWZQEW-SFHVURJKSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50078748 (CHEMBL3415629) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Innovation Center Shanghai Curated by ChEMBL | Assay Description Inhibition of HDAC1 (unknown origin) using RHKK(Ac)AMC as substrate | J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50078748 (CHEMBL3415629) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Innovation Center Shanghai Curated by ChEMBL | Assay Description Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate | J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50078748 (CHEMBL3415629) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Roche Innovation Center Shanghai Curated by ChEMBL | Assay Description Inhibition of HDAC6 in human A549 cells assessed as induction of tubulin acetylation after 17 to 18 hrs by ELISA | J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50078748 (CHEMBL3415629) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Innovation Center Shanghai Curated by ChEMBL | Assay Description Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac)AMC as substrate | J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50078748 (CHEMBL3415629) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Innovation Center Shanghai Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis | J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50078748 (CHEMBL3415629) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Innovation Center Shanghai Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis | J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50078748 (CHEMBL3415629) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Innovation Center Shanghai Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis | J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50078748 (CHEMBL3415629) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Innovation Center Shanghai Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis | J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50078748 (CHEMBL3415629) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Innovation Center Shanghai Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis | J Med Chem 58: 2809-20 (2015) Article DOI: 10.1021/jm502011f BindingDB Entry DOI: 10.7270/Q2B56MF0 | |||||||||||
More data for this Ligand-Target Pair |