BindingDB

null

SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1

InChI Key InChIKey=QEVHRUUCFGRFIF-MDEJGZGSSA-N

PDB links: 10 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50017712

Quinolone resistance protein NorA(Staphylococcus aureus)
University of Copenhagen

Curated by ChEMBL

BDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)copy SMILEScopy InChI

IC50: 8.20E+3nMAssay Description:Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysisMore data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q2K075D0PubMed

Quinolone resistance protein NorA(Staphylococcus aureus)
University of Copenhagen

Curated by ChEMBL

BDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)copy SMILEScopy InChI

IC50: 7.00E+3nMAssay Description:Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assayMore data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q2NS0V8CPubMed

Quinolone resistance protein NorA(Staphylococcus aureus)
University of Copenhagen

Curated by ChEMBL

BDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)copy SMILEScopy InChI

IC50: 9.20E+3nMAssay Description:Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...More data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q2765GRDPubMed

Quinolone resistance protein NorA(Staphylococcus aureus)
University of Copenhagen

Curated by ChEMBL

BDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)copy SMILEScopy InChI

IC50: 9.00E+3nMAssay Description:Inhibition of Staphylococcus aureus 1199B NorA assessed as reduction in ethidium bromide efflux by fluorescence assayMore data for this Ligand-Target Pair

PDB KEGG
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BindingDB Entry DOI: 10.7270/Q2RF5XDCPubMed

Quinolone resistance protein NorA(Staphylococcus aureus)
University of Copenhagen

Curated by ChEMBL

BDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)copy SMILEScopy InChI

IC50: 9.20E+3nMAssay Description:Inhibition of Staphylococcus aureus SA-1199B NorA assessed as reduction in EtBr efflux measured over 5 mins by fluorescence assayMore data for this Ligand-Target Pair

PDB KEGG
UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q2XP77H5PubMed

Quinolone resistance protein NorA(Staphylococcus aureus)
University of Copenhagen

Curated by ChEMBL

BDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)copy SMILEScopy InChI

IC50: 9.20E+3nMAssay Description:Inhibition of NorA in Staphylococcus aureus SA-1199B expressing GrlA A116E mutant assessed as reduction in EtBr efflux incubated for 5 mins by fluore...More data for this Ligand-Target Pair

PDB KEGG
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BindingDB Entry DOI: 10.7270/Q2D50QHGPubMed

Quinolone resistance protein NorA(Staphylococcus aureus)
University of Copenhagen

Curated by ChEMBL

BDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)copy SMILEScopy InChI

IC50: 8.00E+3nMAssay Description:Inhibition of NorA efflux pump in Staphylococcus aureus K3092 assessed as inhibition of EtBr effluxMore data for this Ligand-Target Pair

PDB KEGG
UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q2T72M7TPubMed

Quinolone resistance protein NorA(Staphylococcus aureus)
University of Copenhagen

Curated by ChEMBL

BDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)copy SMILEScopy InChI

IC50: 9.00E+3nMMore data for this Ligand-Target Pair

PDB KEGG
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Details

Targets 30 ▿
- ATP-dependent translocase ABCB1 16
- Synaptic vesicular amine transporter 8
- Quinolone resistance protein NorA 8
- Bile salt export pump 5
- Broad substrate specificity ATP-binding cassette transporter ABCG2 3
- ATP-binding cassette sub-family C member 2 2
- 5-hydroxytryptamine receptor 2A 2
- Sodium-dependent dopamine transporter 2
- Solute carrier family 22 member 1 1
- Synaptic vesicular amine transporter [G308P] 1
- DNA topoisomerase 1 1
- Synaptic vesicular amine transporter [V132A] 1
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- D(3) dopamine receptor 1
- Synaptic vesicular amine transporter [P314T] 1
- Synaptic vesicular amine transporter [V41A] 1
- 5-hydroxytryptamine receptor 2C 1
- D(2) dopamine receptor 1
- 5-hydroxytryptamine receptor 1A 1
- Synaptic vesicular amine transporter [P314G] 1
- Synaptic vesicular amine transporter [G308A] 1
- Synaptic vesicular amine transporter [V132G] 1
- 5-hydroxytryptamine receptor 3A 1
- D(1A) dopamine receptor 1
- Cystic fibrosis transmembrane conductance regulator 1
- Synaptic vesicular amine transporter [P314L] 1
- Sodium channel protein type 1/2/3 subunit alpha 1
- Synaptic vesicular amine transporter [V41I] 1
- Arachidonate 15-lipoxygenase 1
- ...
Publications 31 ▿
- J Biol Chem 288: 32160-71 (2013) 10
- NIDA Res Monogr 178: 440-66 (1998) 7
- Biochem Biophys Res Commun 289: 580-5 (2001) 7
- J Med Chem 61: 9121-9131 (2018) 7
- Toxicol Sci 136: 216-41 (2013) 4
- J Pharmacol Exp Ther 303: 323-32 (2002) 2
- Bioorg Med Chem 15: 7470-9 (2007) 2
- Mol Pharmacol 45: 125-35 (1994) 2
- Mol Pharmacol 61: 964-73 (2002) 2
- J Med Chem 51: 760-8 (2008) 1
- Bioorg Med Chem 16: 8224-36 (2008) 1
- Nature 372: 549-552 (1994) 1
- Bioorg Med Chem 20: 4514-21 (2012) 1
- J Med Chem 60: 8268-8297 (2017) 1
- J Med Chem 45: 5671-86 (2002) 1
- J Med Chem 61: 7827-7848 (2018) 1
- Eur J Med Chem 155: 428-433 (2018) 1
- Pharm Res 20: 161-8 (2003) 1
- Antimicrob Agents Chemother 51: 4480-3 (2007) 1
- PubChem Bioassay (2016) 1
- Eur J Med Chem 138: 273-292 (2017) 1
- Pharm Res 19: 765-72 (2002) 1
- Pharm Res 19: 773-9 (2002) 1
- J Med Chem 56: 4975-89 (2013) 1
- Biochemistry 55: 3329-40 (2016) 1
- J Nat Prod 68: 848-52 (2005) 1
- Drug Metab Dispos 40: 2332-41 (2012) 1
- Toxicol Sci 118: 485-500 (2010) 1
- J Med Chem 28: 381-8 (1985) 1
- Pharm Res 20: 537-44 (2003) 1
- J Med Chem 54: 5722-36 (2011) 1
Institutions 26 ▿
- [Hebrew University of Jerusalem] 10
- [Schering-Plough Research Institute] 8
- [SRI International, Organix Inc] 7
- [SRI International, Organix Inc] 7
- [Amgen Inc] 4
- [The University of Kansas, University of Bonn] 3
- [The University of Kansas, University of Bonn] 3
- [Lilly Research Laboratories, St. Jude Children's Research Hospital, University of Perugia, University of Toronto] 2
- [Lilly Research Laboratories, St. Jude Children's Research Hospital, University of Perugia, University of Toronto] 2
- [Lilly Research Laboratories, St. Jude Children's Research Hospital, University of Perugia, University of Toronto] 2
- [Lilly Research Laboratories, St. Jude Children's Research Hospital, University of Perugia, University of Toronto] 2
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
- [CSIR - Indian Institute of Integrative Medicine, University of California, Santa Cruz, Wichita State University, University of London, Universit£ degli Studi di Palermo, University of Copenhagen, Universita` degli Studi di Perugia, Bulgarian Academy of Sciences, Southern Research Institute, Kobe Pharmaceutical University, TBA, Bayerische Julius-Maximilians-Universit£t, AstraZeneca, Universit£ degli Studi di Perugia, Amgen Inc.] 1
Affinity: 1 to 3.0E+5 nM▿
- Ki 23
- IC50 43
- Kd 1
- EC50 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1