Found 46 hits for monomerid = 50339185 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 |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes |
Mol Pharmacol 55: 847-54 (1999)
BindingDB Entry DOI: 10.7270/Q28053WW |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| 7.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee
Curated by ChEMBL
| Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis |
J Med Chem 63: 8314-8324 (2020)
|
More data for this Ligand-Target Pair | |
Caspase-5
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado
| Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... |
Cell Chem Biol 24: 281-292 (2017)
Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX |
More data for this Ligand-Target Pair | |
Caspase-9
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado
| Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... |
Cell Chem Biol 24: 281-292 (2017)
Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory concentration against Prostaglandin H2 synthase 1 (PGHS-1) from ram seminal vesicle |
J Med Chem 39: 3929-37 (1996)
Article DOI: 10.1021/jm960415o BindingDB Entry DOI: 10.7270/Q29W0G4Z |
More data for this Ligand-Target Pair | |
Cytochrome P450 2J2
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tongji University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method |
Drug Metab Dispos 41: 60-71 (2012)
Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Alexander Technological Education Institute of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay |
Eur J Med Chem 47: 111-24 (2012)
Article DOI: 10.1016/j.ejmech.2011.10.029 BindingDB Entry DOI: 10.7270/Q2K937ZK |
More data for this Ligand-Target Pair | |
Prostaglandin-H2 D-isomerase
(Mus musculus) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Research Group
Curated by ChEMBL
| Assay Description Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes |
J Med Chem 34: 1099-110 (1991)
BindingDB Entry DOI: 10.7270/Q24M955S |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
KEGG
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| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine |
J Med Chem 38: 3895-901 (1995)
BindingDB Entry DOI: 10.7270/Q28C9WX5 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human |
J Med Chem 38: 3895-901 (1995)
BindingDB Entry DOI: 10.7270/Q28C9WX5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibitory activity against prostaglandin G/H synthase 1 |
J Med Chem 43: 214-23 (2000)
BindingDB Entry DOI: 10.7270/Q2DV1KK0 |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB PubMed
| n/a | n/a | 1.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibitory activity against prostaglandin G/H synthase 2 |
J Med Chem 43: 214-23 (2000)
BindingDB Entry DOI: 10.7270/Q2DV1KK0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of recombinant human AKR1C3 |
Bioorg Med Chem Lett 15: 5170-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.063 BindingDB Entry DOI: 10.7270/Q27D2VX4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C4 (AK1C4)
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
UniProtKB/SwissProt
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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 |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| n/a | n/a | 3.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 |
Bioorg Med Chem Lett 23: 163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.131 BindingDB Entry DOI: 10.7270/Q26T0NZ5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
KEGG
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| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem Lett 23: 163-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.131 BindingDB Entry DOI: 10.7270/Q26T0NZ5 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells |
J Pharmacol Exp Ther 295: 10-5 (2000)
BindingDB Entry DOI: 10.7270/Q2TB186W |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay |
Bioorg Med Chem 21: 532-9 (2012)
Article DOI: 10.1016/j.bmc.2012.10.046 BindingDB Entry DOI: 10.7270/Q2H41SRD |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 1.01E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of COX2-catalyzed prostaglandin biosynthesis after 10 mins of preincubation |
J Nat Prod 61: 1212-5 (1998)
Article DOI: 10.1021/np980088i BindingDB Entry DOI: 10.7270/Q26W9BZJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of COX1-catalyzed prostaglandin biosynthesis 10 mins of preincubation |
J Nat Prod 61: 1212-5 (1998)
Article DOI: 10.1021/np980088i BindingDB Entry DOI: 10.7270/Q26W9BZJ |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Bos taurus) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of bovine seminal microsomal COX1 assessed as PGE2 production preincubated for 10 mins |
J Nat Prod 61: 2-7 (1998)
Article DOI: 10.1021/np970343j BindingDB Entry DOI: 10.7270/Q2JS9RBH |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (Cyclooxygenase-2)
(Ovis aries (Sheep)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| n/a | n/a | 1.02E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of sheep placental cotyledons COX2 assessed as PGE2 production preincubated for 10 mins |
J Nat Prod 61: 2-7 (1998)
Article DOI: 10.1021/np970343j BindingDB Entry DOI: 10.7270/Q2JS9RBH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of ovine COX-1 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX-2 |
J Med Chem 54: 1356-64 (2011)
Article DOI: 10.1021/jm101403g BindingDB Entry DOI: 10.7270/Q2RJ4KFB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase
(RAT) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| PDB PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Prostaglandin G/H synthase in rat neutrophils |
J Med Chem 29: 1099-113 (1986)
BindingDB Entry DOI: 10.7270/Q2DZ0BHV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile salt export pump
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | >1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t... |
Toxicol Sci 118: 485-500 (2010)
Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | >1.00E+6 | 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 | |
Canalicular multispecific organic anion transporter 1
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | UniProtKB/SwissProt
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Similars
| PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... |
Toxicol Sci 136: 216-41 (2013)
BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Canalicular multispecific organic anion transporter 2
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... |
Toxicol Sci 136: 216-41 (2013)
BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 4
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... |
Toxicol Sci 136: 216-41 (2013)
BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
UniProtKB/SwissProt
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Similars
| PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... |
Toxicol Sci 136: 216-41 (2013)
BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| n/a | n/a | 3.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay |
Bioorg Med Chem 26: 4113-4126 (2018)
Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 production by enzyme immunoassay |
Bioorg Med Chem 26: 4113-4126 (2018)
Article DOI: 10.1016/j.bmc.2018.06.038 BindingDB Entry DOI: 10.7270/Q2S1855F |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 5.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan State University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 3 mins followed by substrate addition measured immediately |
J Nat Prod 80: 2472-2477 (2017)
Article DOI: 10.1021/acs.jnatprod.7b00322 BindingDB Entry DOI: 10.7270/Q29Z97DR |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 5.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan State University
Curated by ChEMBL
| Assay Description Inhibitory concentration required for in vitro binding affinity to cholinergic central Nicotinic acetylcholine receptor on rat brain cortex by using ... |
J Nat Prod 80: 2472-2477 (2017)
Article DOI: 10.1021/acs.jnatprod.7b00322 BindingDB Entry DOI: 10.7270/Q29Z97DR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Seed lipoxygenase-1
(Glycine max (soybean)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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Similars
| Article
| n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Glycine max (soybean) lipoxygenase assessed as formation of 13-hydroperoxylinoleic acid using sodium linoleate as substrate after 7 min |
Citation and Details
Article DOI: 10.1007/s00044-011-9726-x BindingDB Entry DOI: 10.7270/Q2D79F9K |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of COX1 in ram seminal vesicles using arachidonic acid as substrate assessed as reduction in PGH2 conversion to PGG2 by measuring TMPD oxi... |
J Med Chem 59: 7431-44 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00160 |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase/G/H synthase 2
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid as substrate assessed as reduction in PGH2 conversion to PGG2 by measuring TMPD oxidation ... |
J Med Chem 59: 7431-44 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00160 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C2 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1... |
J Med Chem 59: 7431-44 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00160 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto-reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 1... |
J Med Chem 59: 7431-44 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00160 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Caspase-4
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado
| Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... |
Cell Chem Biol 24: 281-292 (2017)
Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | >6.60E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado
| Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... |
Cell Chem Biol 24: 281-292 (2017)
Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
University of Colorado
| Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat... |
Cell Chem Biol 24: 281-292 (2017)
Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX |
More data for this Ligand-Target Pair | |