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Compile Data Set for Download or QSAR

Found 234 hits with Last Name = 'sircar' and Initial = 'jc'   
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
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50005795
PNG
(2,8-Diamino-9-thiophen-2-ylmethyl-1,9-dihydro-puri...)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1Cc1cccs1
Show InChI InChI=1S/C10H10N6OS/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3H,4H2,(H2,12,13)(H3,11,14,15,17)
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67n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP)


J Med Chem 35: 1605-9 (1992)


BindingDB Entry DOI: 10.7270/Q2KW5GPH
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50368609
PNG
(CHEMBL604660)
Show SMILES O[C@@H]1[C@@H](CI)OC([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H12IN3O4/c12-1-5-8(16)9(17)10(19-5)4-2-13-7-6(4)14-3-15-11(7)18/h2-3,5,8-10,13,16-17H,1H2,(H,14,15,18)/t5-,8-,9-,10?/m1/s1
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176n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP)


J Med Chem 35: 1605-9 (1992)


BindingDB Entry DOI: 10.7270/Q2KW5GPH
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50368611
PNG
(CHEMBL604864)
Show SMILES O[C@@H]1[C@@H](CCl)OC([C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H12ClN3O4/c12-1-5-8(16)9(17)10(19-5)4-2-13-7-6(4)14-3-15-11(7)18/h2-3,5,8-10,13,16-17H,1H2,(H,14,15,18)/t5-,8-,9-,10?/m1/s1
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200n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP)


J Med Chem 35: 1605-9 (1992)


BindingDB Entry DOI: 10.7270/Q2KW5GPH
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50005916
PNG
(2,6-diamino-7-(thien-3-ylmethyl)-3,5-dihydro-4H-py...)
Show SMILES Nc1[nH]c2c(nc(N)[nH]c2=O)c1Cc1ccsc1
Show InChI InChI=1S/C11H11N5OS/c12-9-6(3-5-1-2-18-4-5)7-8(14-9)10(17)16-11(13)15-7/h1-2,4,14H,3,12H2,(H3,13,15,16,17)
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830n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP)


J Med Chem 35: 1605-9 (1992)


BindingDB Entry DOI: 10.7270/Q2KW5GPH
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50230691
PNG
(CHEMBL3143996)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC2C1=NC=NC2=O |r,c:17,t:10,15|
Show InChI InChI=1S/C11H13N3O5/c15-2-5-8(16)9(17)10(19-5)4-1-12-7-6(4)13-3-14-11(7)18/h1,3,5,7-10,12,15-17H,2H2/t5-,7?,8-,9-,10+/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP)


J Med Chem 35: 1605-9 (1992)


BindingDB Entry DOI: 10.7270/Q2KW5GPH
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50230690
PNG
(CHEMBL3143997)
Show SMILES NC1=NC(=O)C2NC=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=N1 |r,c:20,t:1,7|
Show InChI InChI=1S/C11H14N4O5/c12-11-14-5-3(1-13-6(5)10(19)15-11)9-8(18)7(17)4(2-16)20-9/h1,4,6-9,13,16-18H,2H2,(H2,12,15,19)/t4-,6?,7-,8-,9+/m1/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit purine nucleoside phosphorylase (PNP)


J Med Chem 35: 1605-9 (1992)


BindingDB Entry DOI: 10.7270/Q2KW5GPH
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033318
PNG
(Benzyl-(6-ethynyl-2-imidazol-1-yl-quinazolin-4-yl)...)
Show SMILES C#Cc1ccc2nc(nc(NCc3ccccc3)c2c1)-n1ccnc1
Show InChI InChI=1S/C20H15N5/c1-2-15-8-9-18-17(12-15)19(22-13-16-6-4-3-5-7-16)24-20(23-18)25-11-10-21-14-25/h1,3-12,14H,13H2,(H,22,23,24)
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n/an/a 0.530n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033343
PNG
(Benzyl-(6-bromo-2-imidazol-1-yl-quinazolin-4-yl)-a...)
Show SMILES Brc1ccc2nc(nc(NCc3ccccc3)c2c1)-n1ccnc1
Show InChI InChI=1S/C18H14BrN5/c19-14-6-7-16-15(10-14)17(21-11-13-4-2-1-3-5-13)23-18(22-16)24-9-8-20-12-24/h1-10,12H,11H2,(H,21,22,23)
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n/an/a 2.30n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033313
PNG
(Benzyl-(2-imidazol-1-yl-6-nitro-quinazolin-4-yl)-a...)
Show SMILES [O-][N+](=O)c1ccc2nc(nc(NCc3ccccc3)c2c1)-n1ccnc1
Show InChI InChI=1S/C18H14N6O2/c25-24(26)14-6-7-16-15(10-14)17(20-11-13-4-2-1-3-5-13)22-18(21-16)23-9-8-19-12-23/h1-10,12H,11H2,(H,20,21,22)
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n/an/a 2.60n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033312
PNG
(Benzyl-(6-chloro-2-imidazol-1-yl-quinazolin-4-yl)-...)
Show SMILES Clc1ccc2nc(nc(NCc3ccccc3)c2c1)-n1ccnc1
Show InChI InChI=1S/C18H14ClN5/c19-14-6-7-16-15(10-14)17(21-11-13-4-2-1-3-5-13)23-18(22-16)24-9-8-20-12-24/h1-10,12H,11H2,(H,21,22,23)
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n/an/a 2.80n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033306
PNG
(Benzyl-(6-nitro-2-pyridin-3-yl-quinazolin-4-yl)-am...)
Show SMILES [O-][N+](=O)c1ccc2nc(nc(NCc3ccccc3)c2c1)-c1cccnc1
Show InChI InChI=1S/C20H15N5O2/c26-25(27)16-8-9-18-17(11-16)20(22-12-14-5-2-1-3-6-14)24-19(23-18)15-7-4-10-21-13-15/h1-11,13H,12H2,(H,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033328
PNG
(Benzyl-(2-imidazol-1-yl-6-methylsulfanyl-quinazoli...)
Show SMILES CSc1ccc2nc(nc(NCc3ccccc3)c2c1)-n1ccnc1
Show InChI InChI=1S/C19H17N5S/c1-25-15-7-8-17-16(11-15)18(21-12-14-5-3-2-4-6-14)23-19(22-17)24-10-9-20-13-24/h2-11,13H,12H2,1H3,(H,21,22,23)
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n/an/a 14n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033293
PNG
(Benzyl-(2-imidazol-1-yl-6-methoxy-quinazolin-4-yl)...)
Show SMILES COc1ccc2nc(nc(NCc3ccccc3)c2c1)-n1ccnc1
Show InChI InChI=1S/C19H17N5O/c1-25-15-7-8-17-16(11-15)18(21-12-14-5-3-2-4-6-14)23-19(22-17)24-10-9-20-13-24/h2-11,13H,12H2,1H3,(H,21,22,23)
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n/an/a 16n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033287
PNG
(Benzyl-(6-chloro-2-pyridin-3-yl-quinazolin-4-yl)-a...)
Show SMILES Clc1ccc2nc(nc(NCc3ccccc3)c2c1)-c1cccnc1
Show InChI InChI=1S/C20H15ClN4/c21-16-8-9-18-17(11-16)20(23-12-14-5-2-1-3-6-14)25-19(24-18)15-7-4-10-22-13-15/h1-11,13H,12H2,(H,23,24,25)
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n/an/a 26n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033334
PNG
(CHEMBL542707 | Furan-2-ylmethyl-(2-imidazol-1-yl-6...)
Show SMILES COc1ccc2nc(nc(NCc3ccco3)c2c1)-n1ccnc1
Show InChI InChI=1S/C17H15N5O2/c1-23-12-4-5-15-14(9-12)16(19-10-13-3-2-8-24-13)21-17(20-15)22-7-6-18-11-22/h2-9,11H,10H2,1H3,(H,19,20,21)
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n/an/a 72n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50012896
PNG
(CHEMBL876 | CL-583.NA SALT | MECLOFENAMATE SODIUM ...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/p-1
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n/an/a 100n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line


J Med Chem 33: 2070-2 (1990)


BindingDB Entry DOI: 10.7270/Q2RJ4HGZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033289
PNG
(Benzyl-(6-methyl-2-pyridin-3-yl-quinazolin-4-yl)-a...)
Show SMILES Cc1ccc2nc(nc(NCc3ccccc3)c2c1)-c1cccnc1
Show InChI InChI=1S/C21H18N4/c1-15-9-10-19-18(12-15)21(23-13-16-6-3-2-4-7-16)25-20(24-19)17-8-5-11-22-14-17/h2-12,14H,13H2,1H3,(H,23,24,25)
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n/an/a 105n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033301
PNG
(Benzyl-(2-imidazol-1-yl-6-methanesulfonyl-quinazol...)
Show SMILES CS(=O)(=O)c1ccc2nc(nc(NCc3ccccc3)c2c1)-n1ccnc1
Show InChI InChI=1S/C19H17N5O2S/c1-27(25,26)15-7-8-17-16(11-15)18(21-12-14-5-3-2-4-6-14)23-19(22-17)24-10-9-20-13-24/h2-11,13H,12H2,1H3,(H,21,22,23)
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n/an/a 110n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033315
PNG
((6-Chloro-2-pyridin-3-yl-quinazolin-4-yl)-furan-2-...)
Show SMILES Clc1ccc2nc(nc(NCc3ccco3)c2c1)-c1cccnc1
Show InChI InChI=1S/C18H13ClN4O/c19-13-5-6-16-15(9-13)18(21-11-14-4-2-8-24-14)23-17(22-16)12-3-1-7-20-10-12/h1-10H,11H2,(H,21,22,23)
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n/an/a 120n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50008950
PNG
(3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-dihydr...)
Show SMILES CC(C)(C)c1cc(\C=C2/CCOC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C19H26O3/c1-18(2,3)14-10-12(9-13-7-8-22-17(13)21)11-15(16(14)20)19(4,5)6/h9-11,20H,7-8H2,1-6H3/b13-9+
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n/an/a 150n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclooxygenase in rat basophilic leukemia cells using prostaglandin G/H synthase assay


J Med Chem 34: 518-25 (1991)


BindingDB Entry DOI: 10.7270/Q2ZG6R66
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50044077
PNG
(2-Hydroxy-5-[1-(2'-hydroxy-[1,1';3',1'']terphenyl-...)
Show SMILES Oc1c(cc(\C=C2/SC(=O)NC2=O)cc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H15NO3S/c24-20-17(15-7-3-1-4-8-15)11-14(13-19-21(25)23-22(26)27-19)12-18(20)16-9-5-2-6-10-16/h1-13,24H,(H,23,25,26)/b19-13-
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated with the calciumionophore A-23,187


J Med Chem 37: 322-8 (1994)


BindingDB Entry DOI: 10.7270/Q28C9V9P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033336
PNG
(Benzyl-(6-fluoro-2-pyridin-3-yl-quinazolin-4-yl)-a...)
Show SMILES Fc1ccc2nc(nc(NCc3ccccc3)c2c1)-c1cccnc1
Show InChI InChI=1S/C20H15FN4/c21-16-8-9-18-17(11-16)20(23-12-14-5-2-1-3-6-14)25-19(24-18)15-7-4-10-22-13-15/h1-11,13H,12H2,(H,23,24,25)
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Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50044067
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1-meth...)
Show SMILES CN1C(=S)NC(=O)\C1=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C19H26N2O2S/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(24)21(14)7/h8-10,22H,1-7H3,(H,20,23,24)/b14-10-
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated with the calciumionophore A-23,187


J Med Chem 37: 322-8 (1994)


BindingDB Entry DOI: 10.7270/Q28C9V9P
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50005795
PNG
(2,8-Diamino-9-thiophen-2-ylmethyl-1,9-dihydro-puri...)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1Cc1cccs1
Show InChI InChI=1S/C10H10N6OS/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3H,4H2,(H2,12,13)(H3,11,14,15,17)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


J Med Chem 35: 1451-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MW2HSF
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033304
PNG
(3-(2-Phenyl-quinazolin-4-ylamino)-benzoic acid met...)
Show SMILES COC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
Show InChI InChI=1S/C22H17N3O2/c1-27-22(26)16-10-7-11-17(14-16)23-21-18-12-5-6-13-19(18)24-20(25-21)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,24,25)
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Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50008958
PNG
(2,6-Dimethoxy-4-[2-(3-methyl-isothiazol-5-yl)-viny...)
Show SMILES COc1cc(\C=C\c2cc(C)ns2)cc(OC)c1O
Show InChI InChI=1S/C14H15NO3S/c1-9-6-11(19-15-9)5-4-10-7-12(17-2)14(16)13(8-10)18-3/h4-8,16H,1-3H3/b5-4+
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells


J Med Chem 34: 518-25 (1991)


BindingDB Entry DOI: 10.7270/Q2ZG6R66
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50012891
PNG
(2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES CONC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C20H19ClN2O4/c1-12-16(11-19(24)22-27-3)17-10-15(26-2)8-9-18(17)23(12)20(25)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3,(H,22,24)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line


J Med Chem 33: 2070-2 (1990)


BindingDB Entry DOI: 10.7270/Q2RJ4HGZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033349
PNG
((2-Imidazol-1-yl-quinazolin-4-yl)-thiophen-2-ylmet...)
Show SMILES C(Nc1nc(nc2ccccc12)-n1ccnc1)c1cccs1
Show InChI InChI=1S/C16H13N5S/c1-2-6-14-13(5-1)15(18-10-12-4-3-9-22-12)20-16(19-14)21-8-7-17-11-21/h1-9,11H,10H2,(H,18,19,20)
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Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))
BDBM50033290
PNG
(Benzyl-(2-imidazol-1-yl-quinazolin-4-yl)-amine | C...)
Show SMILES C(Nc1nc(nc2ccccc12)-n1ccnc1)c1ccccc1
Show InChI InChI=1S/C18H15N5/c1-2-6-14(7-3-1)12-20-17-15-8-4-5-9-16(15)21-18(22-17)23-11-10-19-13-23/h1-11,13H,12H2,(H,20,21,22)
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Biofor Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Thromboxane A2 synthase in human platelet


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50044078
PNG
(2-Hydroxy-5-[1-(4-hydroxy-3,5-diisopropyl-phenyl)-...)
Show SMILES CC(C)c1cc(\C=C2/SC(=O)NC2=O)cc(C(C)C)c1O
Show InChI InChI=1S/C16H19NO3S/c1-8(2)11-5-10(6-12(9(3)4)14(11)18)7-13-15(19)17-16(20)21-13/h5-9,18H,1-4H3,(H,17,19,20)/b13-7-
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated with the calciumionophore A-23,187


J Med Chem 37: 322-8 (1994)


BindingDB Entry DOI: 10.7270/Q28C9V9P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033348
PNG
(CHEMBL554946 | Cyclohexylmethyl-(2-imidazol-1-yl-q...)
Show SMILES C(Nc1nc(nc2ccccc12)-n1ccnc1)C1CCCCC1
Show InChI InChI=1S/C18H21N5/c1-2-6-14(7-3-1)12-20-17-15-8-4-5-9-16(15)21-18(22-17)23-11-10-19-13-23/h4-5,8-11,13-14H,1-3,6-7,12H2,(H,20,21,22)
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Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50005802
PNG
(2,8-Diamino-9-furan-2-ylmethyl-1,9-dihydro-purin-6...)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1Cc1ccco1
Show InChI InChI=1S/C10H10N6O2/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3H,4H2,(H2,12,13)(H3,11,14,15,17)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


J Med Chem 35: 1451-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MW2HSF
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033290
PNG
(Benzyl-(2-imidazol-1-yl-quinazolin-4-yl)-amine | C...)
Show SMILES C(Nc1nc(nc2ccccc12)-n1ccnc1)c1ccccc1
Show InChI InChI=1S/C18H15N5/c1-2-6-14(7-3-1)12-20-17-15-8-4-5-9-16(15)21-18(22-17)23-11-10-19-13-23/h1-11,13H,12H2,(H,20,21,22)
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Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50008946
PNG
(2,6-Di-tert-butyl-4-[2-(5-methyl-isoxazol-3-yl)-vi...)
Show SMILES Cc1cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)no1
Show InChI InChI=1S/C20H27NO2/c1-13-10-15(21-23-13)9-8-14-11-16(19(2,3)4)18(22)17(12-14)20(5,6)7/h8-12,22H,1-7H3/b9-8+
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclooxygenase in rat basophilic leukemia cells using prostaglandin G/H synthase assay


J Med Chem 34: 518-25 (1991)


BindingDB Entry DOI: 10.7270/Q2ZG6R66
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033302
PNG
(Benzyl-(2-pyridin-4-yl-quinazolin-4-yl)-amine | CH...)
Show SMILES C(Nc1nc(nc2ccccc12)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C20H16N4/c1-2-6-15(7-3-1)14-22-20-17-8-4-5-9-18(17)23-19(24-20)16-10-12-21-13-11-16/h1-13H,14H2,(H,22,23,24)
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Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033296
PNG
(Benzyl-(2-phenyl-quinazolin-4-yl)-amine | CHEMBL72...)
Show SMILES C(Nc1nc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17N3/c1-3-9-16(10-4-1)15-22-21-18-13-7-8-14-19(18)23-20(24-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23,24)
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Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM69375
PNG
(2-(3-pyridinyl)-N-(thiophen-2-ylmethyl)-4-quinazol...)
Show SMILES C(Nc1nc(nc2ccccc12)-c1cccnc1)c1cccs1
Show InChI InChI=1S/C18H14N4S/c1-2-8-16-15(7-1)18(20-12-14-6-4-10-23-14)22-17(21-16)13-5-3-9-19-11-13/h1-11H,12H2,(H,20,21,22)
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Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50044065
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-2-thio...)
Show SMILES CC(C)(C)c1cc(\C=C2/SC(=S)NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H23NO2S2/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated with the calciumionophore A-23,187


J Med Chem 37: 322-8 (1994)


BindingDB Entry DOI: 10.7270/Q28C9V9P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033324
PNG
((3-Nitro-phenyl)-(2-phenyl-quinazolin-4-yl)-amine ...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
Show InChI InChI=1S/C20H14N4O2/c25-24(26)16-10-6-9-15(13-16)21-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H,(H,21,22,23)
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Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033284
PNG
(Benzyl-(2-pyridin-3-yl-quinazolin-4-yl)-amine | CH...)
Show SMILES C(Nc1nc(nc2ccccc12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C20H16N4/c1-2-7-15(8-3-1)13-22-20-17-10-4-5-11-18(17)23-19(24-20)16-9-6-12-21-14-16/h1-12,14H,13H2,(H,22,23,24)
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Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50005799
PNG
(2,8-Diamino-9-benzyl-1,9-dihydro-purin-6-one | CHE...)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1Cc1ccccc1
Show InChI InChI=1S/C12H12N6O/c13-11-16-9-8(10(19)17-11)15-12(14)18(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,15)(H3,13,16,17,19)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay


J Med Chem 35: 1451-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MW2HSF
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033325
PNG
(Benzyl-(7-fluoro-2-pyridin-3-yl-quinazolin-4-yl)-a...)
Show SMILES Fc1ccc2c(NCc3ccccc3)nc(nc2c1)-c1cccnc1
Show InChI InChI=1S/C20H15FN4/c21-16-8-9-17-18(11-16)24-19(15-7-4-10-22-13-15)25-20(17)23-12-14-5-2-1-3-6-14/h1-11,13H,12H2,(H,23,24,25)
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n/an/a 480n/an/an/an/an/an/a



Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50044064
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-eth-(Z)-...)
Show SMILES C\C(=C1\SC(=O)NC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C19H25NO3S/c1-10(15-16(22)20-17(23)24-15)11-8-12(18(2,3)4)14(21)13(9-11)19(5,6)7/h8-9,21H,1-7H3,(H,20,22,23)/b15-10-
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n/an/a 480n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated with the calciumionophore A-23,187


J Med Chem 37: 322-8 (1994)


BindingDB Entry DOI: 10.7270/Q28C9V9P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 500n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line


J Med Chem 33: 2070-2 (1990)


BindingDB Entry DOI: 10.7270/Q2RJ4HGZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033286
PNG
(CHEMBL544818 | Phenethyl-(2-pyridin-3-yl-quinazoli...)
Show SMILES C(Cc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N4/c1-2-7-16(8-3-1)12-14-23-21-18-10-4-5-11-19(18)24-20(25-21)17-9-6-13-22-15-17/h1-11,13,15H,12,14H2,(H,23,24,25)
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Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50012888
PNG
(2-(2,6-Dichloro-3-methyl-phenylamino)-N-methoxy-be...)
Show SMILES CONC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
Show InChI InChI=1S/C15H14Cl2N2O2/c1-9-7-8-11(16)14(13(9)17)18-12-6-4-3-5-10(12)15(20)19-21-2/h3-8,18H,1-2H3,(H,19,20)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line


J Med Chem 33: 2070-2 (1990)


BindingDB Entry DOI: 10.7270/Q2RJ4HGZ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50008954
PNG
(3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1-meth...)
Show SMILES CON1CC\C(=C/c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)C1=O
Show InChI InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-21(24-7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated with the calciumionophore A-23,187


J Med Chem 37: 322-8 (1994)


BindingDB Entry DOI: 10.7270/Q28C9V9P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50033354
PNG
(CHEMBL540318 | Furan-2-ylmethyl-(2-imidazol-1-yl-q...)
Show SMILES C(Nc1nc(nc2ccccc12)-n1ccnc1)c1ccco1
Show InChI InChI=1S/C16H13N5O/c1-2-6-14-13(5-1)15(18-10-12-4-3-9-22-12)20-16(19-14)21-8-7-17-11-21/h1-9,11H,10H2,(H,18,19,20)
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Biofor Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 from human platelets


J Med Chem 38: 3547-57 (1995)


BindingDB Entry DOI: 10.7270/Q2F190CB
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50044079
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NC#N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:13|
Show InChI InChI=1S/C19H23N3O2S/c1-18(2,3)12-7-11(8-13(15(12)23)19(4,5)6)9-14-16(24)22-17(25-14)21-10-20/h7-9,23H,1-6H3,(H,21,22,24)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated with the calciumionophore A-23,187


J Med Chem 37: 322-8 (1994)


BindingDB Entry DOI: 10.7270/Q28C9V9P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50044076
PNG
(5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...)
Show SMILES CSC1=NC(=O)\C(S1)=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |t:2|
Show InChI InChI=1S/C19H25NO2S2/c1-18(2,3)12-8-11(9-13(15(12)21)19(4,5)6)10-14-16(22)20-17(23-7)24-14/h8-10,21H,1-7H3/b14-10-
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n/an/a 650n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated with the calciumionophore A-23,187


J Med Chem 37: 322-8 (1994)


BindingDB Entry DOI: 10.7270/Q28C9V9P
More data for this
Ligand-Target Pair
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