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Compile Data Set for Download or QSAR

Found 974 hits of ic50 data for polymerid = 6044   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 58B
PNG
PDB
MMDB

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n/an/a 0.130n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 64A
PNG
PDB
MMDB

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n/an/a 0.360n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor5 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 17
PNG
PDB
MMDB

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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 61A
PNG
PDB
MMDB

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n/an/a 0.440n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 54A
PNG
PDB
MMDB

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n/an/a 0.450n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 68A
PNG
PDB
MMDB

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n/an/a 0.480n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM556317
PNG
(US11345702, Table 1.35 | US20230390274, Compound A...)
Show SMILES Clc1cccc(c1)-n1ccc2cc(ccc12)C(=O)N1CCCCC1
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US Patent
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
A hydroxyprostaglandin dehydrogenase inhibition screening biochemical assay can be performed to assess the synthesized inhibitors provided herein. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4FF0
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 60A
PNG
PDB
MMDB

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n/an/a 0.5n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 67A
PNG
PDB
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n/an/a 0.520n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 74A
PNG
PDB
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n/an/a 0.520n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 58A
PNG
PDB
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n/an/a 0.550n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 86A
PNG
PDB
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n/an/a 0.560n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 62A
PNG
PDB
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n/an/a 0.560n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 50A
PNG
PDB
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n/an/a 0.570n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 43A
PNG
PDB
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n/an/a 0.580n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 65A
PNG
PDB
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n/an/a 0.590n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 42B
PNG
PDB
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n/an/a 0.590n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM556286
PNG
(US11345702, Table 1.4 | US20230390274, Compound A-...)
Show SMILES O=C(N1CCCCC1)c1cnc2n(ccc2c1)-c1cnccn1
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US Patent
n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
A hydroxyprostaglandin dehydrogenase inhibition screening biochemical assay can be performed to assess the synthesized inhibitors provided herein. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4FF0
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 47A
PNG
PDB
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n/an/a 0.650n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 46A
PNG
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n/an/a 0.700n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 39A
PNG
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n/an/a 0.720n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 48A
PNG
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n/an/a 0.720n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 41A
PNG
PDB
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n/an/a 0.730n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 52A
PNG
PDB
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n/an/a 0.75n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 38A
PNG
PDB
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n/an/a 0.760n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor5 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 13
PNG
PDB
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n/an/a 0.760n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM347359
PNG
(US10301320, ID SW033291 | US10869871, ID # SW03329...)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1S/C21H20N2OS3/c1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17/h4-11,13H,2-3,12,22H2,1H3
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MCE
PC cid
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US Patent
n/an/a 0.760n/an/an/an/an/an/a



Case Western Reserve University; Board of Regents of the University of Texas System; University of Kentucky Research Foundation

US Patent


Assay Description
In vivo assays for 15-PGDH expression or 15-PGDH activity, e.g., ligands, agonists, antagonists, and their homologs and mimetics. The term modulator ...


US Patent US9790233 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92HZ
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 81
PNG
PDB
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n/an/a 0.760n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 89A
PNG
PDB
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n/an/a 0.770n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 54
PNG
PDB
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n/an/a 0.820n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 70
PNG
PDB
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n/an/a 0.880n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 59
PNG
PDB
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n/an/a 0.910n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 72
PNG
PDB
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n/an/a 0.930n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM347365
PNG
(US10301320, ID SW206992 | US10869871, ID # SW20699...)
Show SMILES CCCCS(=O)c1sc2nc(ccc2c1N)-c1nccs1
Show InChI InChI=1S/C14H15N3OS3/c1-2-3-8-21(18)14-11(15)9-4-5-10(17-12(9)20-14)13-16-6-7-19-13/h4-7H,2-3,8,15H2,1H3
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US Patent
n/an/a 0.970n/an/an/an/an/an/a



Case Western Reserve University; Board of Regents of the University of Texas System; University of Kentucky Research Foundation

US Patent


Assay Description
In vivo assays for 15-PGDH expression or 15-PGDH activity, e.g., ligands, agonists, antagonists, and their homologs and mimetics. The term modulator ...


US Patent US9790233 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92HZ
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM347364
PNG
(US10301320, ID SW206980 | US10869871, ID # SW20698...)
Show SMILES CCCCS(=O)c1sc2nc(ccc2c1N)-c1cccs1
Show InChI InChI=1S/C15H16N2OS3/c1-2-3-9-21(18)15-13(16)10-6-7-11(17-14(10)20-15)12-5-4-8-19-12/h4-8H,2-3,9,16H2,1H3
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US Patent
n/an/a 0.970n/an/an/an/an/an/a



Case Western Reserve University; Board of Regents of the University of Texas System

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM347364
PNG
(US10301320, ID SW206980 | US10869871, ID # SW20698...)
Show SMILES CCCCS(=O)c1sc2nc(ccc2c1N)-c1cccs1
Show InChI InChI=1S/C15H16N2OS3/c1-2-3-9-21(18)15-13(16)10-6-7-11(17-14(10)20-15)12-5-4-8-19-12/h4-8H,2-3,9,16H2,1H3
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n/an/a 0.970n/an/an/an/an/an/a



GSK



Assay Description
This Example provides data on a group of structural analogues of SW033291. Data provided includes level of induction of a 15-PGDH-luciferase fusion g...


J Med Chem 50: 685-95 (2007)


BindingDB Entry DOI: 10.7270/Q2BV7JZ5
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 71
PNG
PDB
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n/an/a 0.980n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266191
PNG
(CHEMBL4072253)
Show SMILES CCCC[S+]([O-])c1sc2nc(ccc2c1N)-c1cccs1
Show InChI InChI=1S/C15H16N2OS3/c1-2-3-9-21(18)15-13(16)10-6-7-11(17-14(10)20-15)12-5-4-8-19-12/h4-8H,2-3,9,16H2,1H3
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 79-A
PNG
PDB
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 73
PNG
PDB
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n/an/a 1n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 51
PNG
PDB
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 78-A
PNG
PDB
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n/an/a 1n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 82
PNG
PDB
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TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 55
PNG
PDB
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More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM50266223
PNG
(CHEMBL4060121)
Show SMILES CCCC[S+]([O-])c1sc2nc(nc(-c3ccccc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C19H18N4OS3/c1-2-3-11-27(24)19-14(20)13-15(12-7-5-4-6-8-12)22-16(23-17(13)26-19)18-21-9-10-25-18/h4-10H,2-3,11,20H2,1H3
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



UT Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...


J Med Chem 60: 3979-4001 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00271
BindingDB Entry DOI: 10.7270/Q2280B21
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 57
PNG
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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 43
PNG
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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 47
PNG
PDB
MMDB

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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 69
PNG
PDB
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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
enzyme inhibitor1 15-pgdh


(Homo sapiens (Human))
US20240043440, Example 86
PNG
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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