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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'paracha' and Initial = 'tu'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 2n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50518237
PNG
(CHEMBL4552529)
Show SMILES [Na;v0+].[#8-]-[#6](=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncc2c(-[#7]-[#6]-c3ccc4-[#8]-[#6]-[#8]-c4c3)c(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-16-2-3-17-15(11-25-22(26-17)27-7-5-14(6-8-27)21(28)29)20(16)24-10-13-1-4-18-19(9-13)31-12-30-18/h1-4,9,11,14,24H,5-8,10,12H2,(H,28,29)/p-1
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n/an/a 3.90n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of PDE5 (unknown origin)


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518228
PNG
(CHEMBL4445920)
Show SMILES NS(=O)(=O)c1cccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1
Show InChI InChI=1S/C21H19N5O2S/c22-29(27,28)17-10-6-9-16(13-17)24-21-25-19-12-5-4-11-18(19)20(26-21)23-14-15-7-2-1-3-8-15/h1-13H,14H2,(H2,22,27,28)(H2,23,24,25,26)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518224
PNG
(CHEMBL4570769)
Show SMILES NS(=O)(=O)c1cccc(Nc2nc(NCc3cccs3)c3ccccc3n2)c1
Show InChI InChI=1S/C19H17N5O2S2/c20-28(25,26)15-7-3-5-13(11-15)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-14-6-4-10-27-14/h1-11H,12H2,(H2,20,25,26)(H2,21,22,23,24)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518223
PNG
(CHEMBL4529354)
Show SMILES NS(=O)(=O)c1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
Show InChI InChI=1S/C19H17N5O3S/c20-28(25,26)15-7-3-5-13(11-15)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-14-6-4-10-27-14/h1-11H,12H2,(H2,20,25,26)(H2,21,22,23,24)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518225
PNG
(CHEMBL4434898)
Show SMILES NC(=O)c1ccc(Nc2nc(NCc3cccs3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H17N5OS/c21-18(26)13-7-9-14(10-8-13)23-20-24-17-6-2-1-5-16(17)19(25-20)22-12-15-4-3-11-27-15/h1-11H,12H2,(H2,21,26)(H2,22,23,24,25)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518217
PNG
(CHEMBL4544782)
Show SMILES COc1cc2nc(Nc3cccc(c3)S(N)(=O)=O)nc(NCc3ccccc3)c2cc1OC
Show InChI InChI=1S/C23H23N5O4S/c1-31-20-12-18-19(13-21(20)32-2)27-23(26-16-9-6-10-17(11-16)33(24,29)30)28-22(18)25-14-15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H2,24,29,30)(H2,25,26,27,28)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518232
PNG
(CHEMBL4460740)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NCc3cccs3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H17N5O2S2/c20-28(25,26)15-9-7-13(8-10-15)22-19-23-17-6-2-1-5-16(17)18(24-19)21-12-14-4-3-11-27-14/h1-11H,12H2,(H2,20,25,26)(H2,21,22,23,24)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518220
PNG
(CHEMBL4540726)
Show SMILES COc1cc2nc(Nc3cccc(c3)S(N)(=O)=O)nc(NCc3ccco3)c2cc1OC
Show InChI InChI=1S/C21H21N5O5S/c1-29-18-10-16-17(11-19(18)30-2)25-21(26-20(16)23-12-14-6-4-8-31-14)24-13-5-3-7-15(9-13)32(22,27)28/h3-11H,12H2,1-2H3,(H2,22,27,28)(H2,23,24,25,26)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518234
PNG
(CHEMBL4516390)
Show SMILES NC(=O)c1cccc(Nc2nc(NCc3cccs3)c3ccccc3n2)c1
Show InChI InChI=1S/C20H17N5OS/c21-18(26)13-5-3-6-14(11-13)23-20-24-17-9-2-1-8-16(17)19(25-20)22-12-15-7-4-10-27-15/h1-11H,12H2,(H2,21,26)(H2,22,23,24,25)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518227
PNG
(CHEMBL4452377)
Show SMILES COc1cccc(CNc2nc(Nc3cccc(c3)S(N)(=O)=O)nc3ccccc23)c1
Show InChI InChI=1S/C22H21N5O3S/c1-30-17-8-4-6-15(12-17)14-24-21-19-10-2-3-11-20(19)26-22(27-21)25-16-7-5-9-18(13-16)31(23,28)29/h2-13H,14H2,1H3,(H2,23,28,29)(H2,24,25,26,27)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518233
PNG
(CHEMBL4526365)
Show SMILES COc1cccc(CNc2nc(Nc3cccc(c3)S(N)(=O)=O)nc3cc(OC)c(OC)cc23)c1
Show InChI InChI=1S/C24H25N5O5S/c1-32-17-8-4-6-15(10-17)14-26-23-19-12-21(33-2)22(34-3)13-20(19)28-24(29-23)27-16-7-5-9-18(11-16)35(25,30)31/h4-13H,14H2,1-3H3,(H2,25,30,31)(H2,26,27,28,29)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518226
PNG
(CHEMBL4534674)
Show SMILES C(Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2ccccc12)c1cccs1
Show InChI InChI=1S/C23H23N5OS/c1-2-6-21-20(5-1)22(24-16-19-4-3-15-30-19)27-23(26-21)25-17-7-9-18(10-8-17)28-11-13-29-14-12-28/h1-10,15H,11-14,16H2,(H2,24,25,26,27)
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n/an/a 514n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518230
PNG
(CHEMBL4453311)
Show SMILES C(Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H25N5O/c1-2-6-19(7-3-1)18-26-24-22-8-4-5-9-23(22)28-25(29-24)27-20-10-12-21(13-11-20)30-14-16-31-17-15-30/h1-13H,14-18H2,(H2,26,27,28,29)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518221
PNG
(CHEMBL4450878)
Show SMILES COc1cc2nc(Nc3cccc(c3)S(N)(=O)=O)nc(NCc3cccs3)c2cc1OC
Show InChI InChI=1S/C21H21N5O4S2/c1-29-18-10-16-17(11-19(18)30-2)25-21(26-20(16)23-12-14-6-4-8-31-14)24-13-5-3-7-15(9-13)32(22,27)28/h3-11H,12H2,1-2H3,(H2,22,27,28)(H2,23,24,25,26)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518218
PNG
(CHEMBL4567109)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(Nc2nc(NCc3cccs3)c3ccccc3n2)cc1
Show InChI InChI=1S/C26H22N6OS/c33-26(29-18-7-2-1-3-8-18)30-20-14-12-19(13-15-20)28-25-31-23-11-5-4-10-22(23)24(32-25)27-17-21-9-6-16-34-21/h1-16H,17H2,(H2,29,30,33)(H2,27,28,31,32)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518229
PNG
(CHEMBL4558761)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1
Show InChI InChI=1S/C21H19N5O2S/c22-29(27,28)17-12-10-16(11-13-17)24-21-25-19-9-5-4-8-18(19)20(26-21)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,22,27,28)(H2,23,24,25,26)
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Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518236
PNG
(CHEMBL4469064)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1
Show InChI InChI=1S/C23H23N5O2S/c1-28(2)31(29,30)19-14-12-18(13-15-19)25-23-26-21-11-7-6-10-20(21)22(27-23)24-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H2,24,25,26,27)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518231
PNG
(CHEMBL597248 | GNF-Pf-4180 | MMV006169)
Show SMILES C(Nc1nc(Nc2ccccc2)nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-22-20-18-13-7-8-14-19(18)24-21(25-20)23-17-11-5-2-6-12-17/h1-14H,15H2,(H2,22,23,24,25)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518235
PNG
(CHEMBL4525521)
Show SMILES C(Nc1nc(Nc2ccccc2)nc2ccccc12)c1cccs1
Show InChI InChI=1S/C19H16N4S/c1-2-7-14(8-3-1)21-19-22-17-11-5-4-10-16(17)18(23-19)20-13-15-9-6-12-24-15/h1-12H,13H2,(H2,20,21,22,23)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518222
PNG
(CHEMBL4552918)
Show SMILES Cc1cc(Nc2nc(Nc3cccc(c3)S(N)(=O)=O)nc3ccccc23)n[nH]1
Show InChI InChI=1S/C18H17N7O2S/c1-11-9-16(25-24-11)22-17-14-7-2-3-8-15(14)21-18(23-17)20-12-5-4-6-13(10-12)28(19,26)27/h2-10H,1H3,(H2,19,26,27)(H3,20,21,22,23,24,25)
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n/an/a 3.71E+3n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50518219
PNG
(CHEMBL4565213)
Show SMILES Clc1cnc(Nc2ccccc2)nc1NCc1ccccc1
Show InChI InChI=1S/C17H15ClN4/c18-15-12-20-17(21-14-9-5-2-6-10-14)22-16(15)19-11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21,22)
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kasetsart University

Curated by ChEMBL


Assay Description
Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method


Bioorg Med Chem Lett 29: 267-270 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.043
BindingDB Entry DOI: 10.7270/Q2RJ4NT3
More data for this
Ligand-Target Pair