BDBM50188899 CHEMBL3827517
SMILES: CN(Cc1nc2c(nc(nc2n1C)-c1ccncc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
InChI Key: InChIKey=ZGYDQVJYONGOFO-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histone deacetylase 10 (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 0.860 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of human recombinant HDAC10 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as release of AM... | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of full length human recombinant HDAC6 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as re... | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of recombinant human p110beta expressed in baculovirus infected insect Sf9 cells incubated for 1 hr by ADP-gloreagen assay | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of His-tagged full length recombinant human p110gamma expressed in baculovirus expression system incubated for 1 hr by ADP-gloreagen assay | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus... | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using Ac-Leu-Gly-Lys (Ac)-AMC as substrate after 30 mins by fluorescence assay | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 188 | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of HDAC6 in human A2780S cells assessed as tubulin acetylation incubated for 6 hrs by cytoblot assay | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
p110α/p85α (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of full length recombinant human His-tagged p110 alpha/p85 alpha expressed in baculovirus expression system incubated for 1 hr by kinase-g... | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of full length human recombinant HDAC2 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as re... | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of full length C-terminal His-tagged human recombinant HDAC3/NCOR2 (395 to 489 residues) expressed in baculovirus infected insect Sf9 cell... | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of full length C-terminal His-tagged human recombinant HDAC8 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as su... | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of N-terminal GST/C-terminal His-tagged human recombinant HDAC4 (627 to 1084 residues) expressed in baculovirus infected insect Sf9 cells ... | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 5 (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of human recombinant HDAC5 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as release of AMC... | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 7 (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 895 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged human recombinant HDAC7 (518 to end residues) expressed in baculovirus infected insect Sf9 cells using Ac-peptide... | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ... | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 9 (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of C-terminal His-tagged human recombinant HDAC9 (604 to 1066 residues) expressed in baculovirus infected insect Sf9 cells using Ac-peptid... | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 11 (Homo sapiens (Human)) | BDBM50188899 (CHEMBL3827517) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 835 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of full length human recombinant HDAC11 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as r... | J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0 | |||||||||||
More data for this Ligand-Target Pair |