Found 19 hits for monomerid = 35525 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 |
NAD(P)H dehydrogenase [quinone] 1
(Rattus norvegicus) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Competitive binding affinity to rat liver NQO1 in presence of NADPH |
J Med Chem 61: 6983-7003 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00124 BindingDB Entry DOI: 10.7270/Q2N0192H |
More data for this Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | KEGG
UniProtKB/SwissProt
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| Article PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis |
J Med Chem 56: 7084-99 (2013)
Checked by Author Article DOI: 10.1021/jm4009373 BindingDB Entry DOI: 10.7270/Q2G16280 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| DrugBank PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D
Curated by ChEMBL
| Assay Description Binding affinity towards cytochrome P450 2C9 |
J Med Chem 47: 907-14 (2004)
Article DOI: 10.1021/jm030972s BindingDB Entry DOI: 10.7270/Q2ZK5HF3 |
More data for this Ligand-Target Pair | |
NAD(P)H dehydrogenase [quinone] 1
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO1 in presence of BSA |
J Med Chem 50: 6316-25 (2007)
Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
NAD(P)H dehydrogenase [quinone] 1
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO1 |
J Med Chem 50: 6316-25 (2007)
Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Subtilisin/kexin type 7
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Estadual Paulista
Curated by ChEMBL
| Assay Description Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubat... |
J Nat Prod 74: 1353-7 (2011)
Article DOI: 10.1021/np1005983 BindingDB Entry DOI: 10.7270/Q2PZ596S |
More data for this Ligand-Target Pair | |
NAD(P)H dehydrogenase [quinone] 1
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB Article PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO1 |
Bioorg Med Chem Lett 16: 6246-54 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.015 BindingDB Entry DOI: 10.7270/Q2V988WG |
More data for this Ligand-Target Pair | 3D Structure (docked) |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | KEGG
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Agonist activity at human GPR35 expressed in HEK293T cells at 5 uM by EYPF-based beta-arrestin-2 luciferase reporter gene assay |
J Med Chem 56: 7084-99 (2013)
Checked by Author Article DOI: 10.1021/jm4009373 BindingDB Entry DOI: 10.7270/Q2G16280 |
More data for this Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | KEGG
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| Article PubMed
| n/a | n/a | n/a | n/a | 9.78E+3 | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment as... |
J Med Chem 56: 7084-99 (2013)
Checked by Author Article DOI: 10.1021/jm4009373 BindingDB Entry DOI: 10.7270/Q2G16280 |
More data for this Ligand-Target Pair | |
Urease
(Canavalia ensiformis (Jack bean) (Horse bean)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
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| Article PubMed
| n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Karachi
Curated by ChEMBL
| Assay Description Inhibition of jack bean urease |
Bioorg Med Chem 16: 3456-61 (2008)
Article DOI: 10.1016/j.bmc.2005.09.048 BindingDB Entry DOI: 10.7270/Q2474C5K |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Francisella tularensis subsp. tularensis (strain S...) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
KEGG
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a... |
J Med Chem 56: 5275-87 (2014)
Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 3.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... |
Drug Metab Dispos 40: 2332-41 (2012)
Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M |
More data for this Ligand-Target Pair | |
G-protein coupled receptor 35
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Dalian Institute of Chemical Physics
Curated by ChEMBL
| Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay |
J Med Chem 60: 362-372 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8 |
More data for this Ligand-Target Pair | |
Human immunodeficiency virus type 1 integrase
(Human immunodeficiency virus 1) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibitory activity against 3'-processing of DNA by HIV-1 integrase |
J Med Chem 40: 242-9 (1997)
Article DOI: 10.1021/jm960450v BindingDB Entry DOI: 10.7270/Q2DN444V |
More data for this Ligand-Target Pair | |
Human immunodeficiency virus type 1 integrase
(Human immunodeficiency virus 1) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Integration of DNA by HIV -1 integrase |
J Med Chem 40: 242-9 (1997)
Article DOI: 10.1021/jm960450v BindingDB Entry DOI: 10.7270/Q2DN444V |
More data for this Ligand-Target Pair | |
NAD(P)H dehydrogenase [quinone] 1
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB Article PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human NQO1 assessed as reduction in oxidation of NADPH to NADP+ using b-lap as substrate and NADPH in presence of 0.14% (w/... |
Eur J Med Chem 127: 828-839 (2017)
Article DOI: 10.1016/j.ejmech.2016.10.062 BindingDB Entry DOI: 10.7270/Q24X5BGG |
More data for this Ligand-Target Pair | 3D Structure (docked) |
NAD(P)H dehydrogenase [quinone] 1
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB Article PubMed
| n/a | n/a | 404 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Manchester
| Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa... |
J Med Chem 52: 7142-56 (2009)
Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
NAD(P)H dehydrogenase [quinone] 1
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Manchester
| Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa... |
J Med Chem 52: 7142-56 (2009)
Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40 |
More data for this Ligand-Target Pair | 3D Structure (docked) |