null
SMILES: CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ncc([nH]1)-c1cc2ccccc2nc1OC
InChI Key:
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 |
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Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50569638 (CHEMBL4874919) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant human C-terminal FLAG-tagged HDAC1 expressed in human HEK293F cells using Fluor-de-lys substrate as substrate incubated for... | Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00074 BindingDB Entry DOI: 10.7270/Q2V41004 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50569638 (CHEMBL4874919) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant human C-terminal FLAG-tagged HDAC2 expressed in human HEK293F cells using Fluor-de-lys substrate as substrate incubated for... | Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00074 BindingDB Entry DOI: 10.7270/Q2V41004 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50569638 (CHEMBL4874919) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as reduction in 4'-hydroxy diclofenac level using diclofenac as substrate incubated for 10 mi... | Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00074 BindingDB Entry DOI: 10.7270/Q2V41004 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1/2/3/8 (Homo sapiens (Human)) | BDBM50569638 (CHEMBL4874919) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of class 1 HDAC in human Jurkat 2C4 model of HIV latency assessed as reactivation of HIV latency incubated for 18 to 24 hrs in presence of... | Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00074 BindingDB Entry DOI: 10.7270/Q2V41004 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human)) | BDBM50569638 (CHEMBL4874919) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a |
TBA | Assay Description Activation of PXR (unknown origin) expressed in human DPX2 cells co-expressing luciferase gene under control of CYP3A4 promoter assessed as induction... | Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00074 BindingDB Entry DOI: 10.7270/Q2V41004 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50569638 (CHEMBL4874919) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant human FLAG-tagged HDAC3 expressed in human HEK293F cells co-expressing His6-tagged SMRT (1 to 899 residues) using Fluor-de-... | Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00074 BindingDB Entry DOI: 10.7270/Q2V41004 | |||||||||||
More data for this Ligand-Target Pair |