BDBM27504 4-HQN::4-hydroxyquinazoline::CHEMBL266540::quinazolin-4-ol
SMILES: O=c1[nH]cnc2ccccc12
InChI Key: InChIKey=QMNUDYFKZYBWQX-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 |
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Carbonic anhydrase (Homo sapiens (Human)) | BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 677-683 (2017) Article DOI: 10.1016/j.bmc.2016.11.039 BindingDB Entry DOI: 10.7270/Q2N29ZZR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 677-683 (2017) Article DOI: 10.1016/j.bmc.2016.11.039 BindingDB Entry DOI: 10.7270/Q2N29ZZR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 677-683 (2017) Article DOI: 10.1016/j.bmc.2016.11.039 BindingDB Entry DOI: 10.7270/Q2N29ZZR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay | Bioorg Med Chem 25: 677-683 (2017) Article DOI: 10.1016/j.bmc.2016.11.039 BindingDB Entry DOI: 10.7270/Q2N29ZZR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 9.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Amsterdam Curated by ChEMBL | Assay Description Inhibition of human N-terminal His6-tagged PDE10A2 catalytic domain expressed in Escherichia coli BL21(DE3) RIL cells using 3',5'-cGMP as substrate b... | J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 9.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Amsterdam Curated by ChEMBL | Assay Description Inhibition of human N-terminal His6-tagged PDE10A2 catalytic domain expressed in Escherichia coli BL21(DE3) RIL cells using 3',5'-cGMP as substrate b... | J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University Curated by ChEMBL | Assay Description Inhibition of PARP1 using TACS-Sapphire substrate for 30 mins by colorimetry | Eur J Med Chem 50: 264-73 (2012) Article DOI: 10.1016/j.ejmech.2012.02.001 BindingDB Entry DOI: 10.7270/Q2FT8MGP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human)) | BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi... | ACS Med Chem Lett 1: 439-442 (2010) Article DOI: 10.1021/ml100136n BindingDB Entry DOI: 10.7270/Q22807WJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute Curated by ChEMBL | Assay Description Inhibition of PARP1 | J Med Chem 53: 4561-84 (2010) Article DOI: 10.1021/jm100012m BindingDB Entry DOI: 10.7270/Q2NV9JF0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Perugia Curated by ChEMBL | Assay Description The compound was tested for poly(ADP-ribose)polymerase (PARP) inhibition | J Med Chem 44: 3786-94 (2001) BindingDB Entry DOI: 10.7270/Q2B857DN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
poly-ADP-ribose polymerase 2 (PARP2) (Mus musculus (Mouse)) | BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.57E+4 | n/a | n/a | n/a | n/a | 7.8 | 22 |
University of Konstanz | Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P... | Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.89E+3 | n/a | n/a | n/a | n/a | 7.8 | 22 |
University of Konstanz | Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P... | Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purine nucleoside phosphorylase (Mycobacterium tuberculosis) | BDBM27504 (4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 3.16E+5 | n/a | n/a | n/a | n/a | n/a |
Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS) Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis | Bioorg Med Chem 18: 4769-74 (2011) Article DOI: 10.1016/j.bmc.2010.05.009 BindingDB Entry DOI: 10.7270/Q2TQ62T5 | |||||||||||
More data for this Ligand-Target Pair |