Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50045217 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Xanthine dehydrogenase/oxidase
(Homo sapiens (Human)) | BDBM7458
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of xanthine oxidase (unknown origin) |
Eur J Med Chem 84: 206-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50050769
(CHEMBL3318019)Show InChI InChI=1S/C19H17ClO4/c1-10(2)23-16-8-11(3)4-6-13(16)19-18(22)17(21)14-9-12(20)5-7-15(14)24-19/h4-10,22H,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A3 receptor |
Eur J Med Chem 84: 206-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN |
More data for this Ligand-Target Pair | |
Xanthine dehydrogenase/oxidase
(Homo sapiens (Human)) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of xanthine oxidase (unknown origin) |
Eur J Med Chem 84: 206-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN |
More data for this Ligand-Target Pair | |
Xanthine dehydrogenase/oxidase
(Homo sapiens (Human)) | BDBM50016784
(ALLOPURINOL | BW-56-158 | BW-56158 | CHEBI:40279 |...)Show InChI InChI=1S/C5H2N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of xanthine oxidase (unknown origin) |
Eur J Med Chem 84: 206-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN |
More data for this Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM7458
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of forskolin-stimulated CFTR (unknown origin) |
Eur J Med Chem 84: 206-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50050771
(CHEMBL3318017)Show SMILES COc1cc2oc(cc(=O)c2cc1OC)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C22H23NO4/c1-25-21-11-17-18(24)12-19(27-20(17)13-22(21)26-2)16-7-5-15(6-8-16)14-23-9-3-4-10-23/h5-8,11-13H,3-4,9-10,14H2,1-2H3 | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of AChE (unknown origin) |
Eur J Med Chem 84: 206-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50050770
(CHEMBL3318018)Show InChI InChI=1S/C21H21NO2/c23-19-14-21(24-20-7-3-2-6-18(19)20)17-10-8-16(9-11-17)15-22-12-4-1-5-13-22/h2-3,6-11,14H,1,4-5,12-13,15H2 | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of AChE (unknown origin) |
Eur J Med Chem 84: 206-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN |
More data for this Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50321611
(7-((6-chloropyridin-3-yl)methoxy)-2-(4-((6-chlorop...)Show SMILES Clc1ccc(COc2ccc(cc2)-c2cc(=O)c3ccc(OCc4ccc(Cl)nc4)cc3o2)cn1 Show InChI InChI=1S/C27H18Cl2N2O4/c28-26-9-1-17(13-30-26)15-33-20-5-3-19(4-6-20)24-12-23(32)22-8-7-21(11-25(22)35-24)34-16-18-2-10-27(29)31-14-18/h1-14H,15-16H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of telomerase activity (unknown origin) |
Eur J Med Chem 84: 206-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN |
More data for this Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50050768
(CHEMBL3318022)Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](OS(O)(=O)=O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H20O14S/c22-7-16-18(27)19(28)20(35-36(29,30)31)21(34-16)32-9-4-12(25)17-13(26)6-14(33-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-28H,7H2,(H,29,30,31)/t16-,18-,19+,20-,21-/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 integrase strand transfer activity |
Eur J Med Chem 84: 206-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN |
More data for this Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50050768
(CHEMBL3318022)Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](OS(O)(=O)=O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H20O14S/c22-7-16-18(27)19(28)20(35-36(29,30)31)21(34-16)32-9-4-12(25)17-13(26)6-14(33-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-28H,7H2,(H,29,30,31)/t16-,18-,19+,20-,21-/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 integrase terminal cleavage activity |
Eur J Med Chem 84: 206-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN |
More data for this Ligand-Target Pair | |
Succinate-semialdehyde dehydrogenase, mitochondrial
(Homo sapiens (Human)) | BDBM23411
(5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of SSADH (unknown origin) |
Eur J Med Chem 84: 206-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN |
More data for this Ligand-Target Pair | |
4-aminobutyrate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50009001
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.28E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of GABA transaminase (unknown origin) |
Eur J Med Chem 84: 206-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN |
More data for this Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM7458
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Stimulation of CFTR (unknown origin) |
Eur J Med Chem 84: 206-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.013 BindingDB Entry DOI: 10.7270/Q2GH9KMN |
More data for this Ligand-Target Pair | |