BDBM50106196 (1H )-Quinazolin-2,4-dione::1H-Quinazoline-2,4-dione (Benzoylenurea)::CHEMBL421646::Quinazoline-2,4-diol
SMILES: O=c1[nH]c2ccccc2c(=O)[nH]1
InChI Key: InChIKey=SDQJTWBNWQABLE-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50106196 ((1H )-Quinazolin-2,4-dione | 1H-Quinazoline-2,4-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 8.65E+3 | 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)) | BDBM50106196 ((1H )-Quinazolin-2,4-dione | 1H-Quinazoline-2,4-di...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.37E+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 2 (Homo sapiens (Human)) | BDBM50106196 ((1H )-Quinazolin-2,4-dione | 1H-Quinazoline-2,4-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid 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 | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50106196 ((1H )-Quinazolin-2,4-dione | 1H-Quinazoline-2,4-di...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid 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 | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM50106196 ((1H )-Quinazolin-2,4-dione | 1H-Quinazoline-2,4-di...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 8.10E+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 |