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Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with Target = 'Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50306253
PNG
(1-(2-(pyridin-3-yl)acetyl)-2,3,9,9a-tetrahydro-1H-...)
Show SMILES O=C(Cc1cccnc1)N1CCc2cccc3C(=O)NCC1c23
Show InChI InChI=1S/C18H17N3O2/c22-16(9-12-3-2-7-19-10-12)21-8-6-13-4-1-5-14-17(13)15(21)11-20-18(14)23/h1-5,7,10,15H,6,8-9,11H2,(H,20,23)
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n/an/a 50n/an/an/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of PARP3


Bioorg Med Chem Lett 20: 448-52 (2010)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM206061
PNG
(US9255106, S3)
Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
Show InChI InChI=1/C23H18F4N6O2/c1-12-10-32(11-19-29-31-22(33(12)19)23(25,26)27)21(35)16-8-13(6-7-17(16)24)9-18-14-4-2-3-5-15(14)20(34)30-28-18/h2-8,12H,9-11H2,1H3,(H,30,34)
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US Patent
n/an/a 66.9n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...


US Patent US9255106 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50306256
PNG
(1-(3-(pyrazin-2-yl)propanoyl)-2,3,9,9a-tetrahydro-...)
Show SMILES O=C(CCc1cnccn1)N1CCc2cccc3C(=O)NCC1c23
Show InChI InChI=1S/C18H18N4O2/c23-16(5-4-13-10-19-7-8-20-13)22-9-6-12-2-1-3-14-17(12)15(22)11-21-18(14)24/h1-3,7-8,10,15H,4-6,9,11H2,(H,21,24)
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n/an/a 70n/an/an/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of PARP3


Bioorg Med Chem Lett 20: 448-52 (2010)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM27566
PNG
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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US Patent
n/an/a 320n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...


US Patent US9255106 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM103558
PNG
(ME0328)
Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1
Show InChI InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Ume£ University



Assay Description
Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...


ACS Chem Biol 8: 1698-703 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM103558
PNG
(ME0328)
Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1
Show InChI InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50444033
PNG
(CHEMBL3092553)
Show SMILES OC[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C20H21N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-9,15,24H,10-13H2,(H,21,25)(H,22,23,26)/t15-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM103556
PNG
(ME0355)
Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1
Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM103556
PNG
(ME0355)
Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1
Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ume£ University



Assay Description
Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...


ACS Chem Biol 8: 1698-703 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50316226
PNG
((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)
Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1
Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



IRBM/Merck Research Labs Rome

Curated by ChEMBL


Assay Description
Inhibition of human PARP3 by trichloroacetic acid precipitation assay


J Med Chem 52: 7170-85 (2009)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50444034
PNG
(CHEMBL3092544)
Show SMILES CC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1
Show InChI InChI=1S/C20H21N3O2/c1-2-16(14-8-4-3-5-9-14)22-19(24)13-12-18-21-17-11-7-6-10-15(17)20(25)23-18/h3-11,16H,2,12-13H2,1H3,(H,22,24)(H,21,23,25)/t16-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50444027
PNG
(CHEMBL3092523)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C21H21N3O4/c1-28-21(27)17(13-14-7-3-2-4-8-14)23-19(25)12-11-18-22-16-10-6-5-9-15(16)20(26)24-18/h2-10,17H,11-13H2,1H3,(H,23,25)(H,22,24,26)/t17-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50444028
PNG
(CHEMBL3092522)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C20H20N4O3/c21-19(26)16(12-13-6-2-1-3-7-13)23-18(25)11-10-17-22-15-9-5-4-8-14(15)20(27)24-17/h1-9,16H,10-12H2,(H2,21,26)(H,23,25)(H,22,24,27)/t16-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM103554
PNG
(STO1131 | US8551988, 39)
Show SMILES CC(NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1
Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Ume£ University



Assay Description
Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...


ACS Chem Biol 8: 1698-703 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50444029
PNG
(CHEMBL3092521)
Show SMILES CC[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H19N3O3/c1-2-10(9-19)16-14(20)8-7-13-17-12-6-4-3-5-11(12)15(21)18-13/h3-6,10,19H,2,7-9H2,1H3,(H,16,20)(H,17,18,21)/t10-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50434127
PNG
(CHEMBL2381633)
Show SMILES Cc1cc(=O)[nH]c2cc(ccc12)-c1ccccc1F
Show InChI InChI=1S/C16H12FNO/c1-10-8-16(19)18-15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of PARP3 (unknown origin)


J Med Chem 56: 4497-508 (2013)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of PARP3 (unknown origin)


J Med Chem 56: 4497-508 (2013)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50434157
PNG
(CHEMBL2381958 | US9340549, 78)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C27H23N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-17,24H,1-2H3,(H,29,31)/t24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP3 (unknown origin) using histone as substrate after 1 hr by luminescence assay


J Med Chem 56: 4320-42 (2013)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50444030
PNG
(CHEMBL3092520)
Show SMILES C[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H17N3O3/c1-9(8-18)15-13(19)7-6-12-16-11-5-3-2-4-10(11)14(20)17-12/h2-5,9,18H,6-8H2,1H3,(H,15,19)(H,16,17,20)/t9-/m0/s1
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n/an/a 1.11E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50104286
PNG
(CHEMBL3593715)
Show SMILES O=c1[nH]c(nc2CCCCc12)N1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C18H23N5O/c24-17-15-3-1-2-4-16(15)20-18(21-17)23-11-9-22(10-12-23)13-14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50444031
PNG
(CHEMBL3092518)
Show SMILES CC(NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C22H21N5O2/c1-15(16-6-8-17(9-7-16)27-13-12-23-14-27)24-21(28)11-10-20-25-19-5-3-2-4-18(19)22(29)26-20/h2-9,12-15H,10-11H2,1H3,(H,24,28)(H,25,26,29)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50444032
PNG
(CHEMBL3092517)
Show SMILES CC(NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H20N4O4S/c1-12(13-6-8-14(9-7-13)28(20,26)27)21-18(24)11-10-17-22-16-5-3-2-4-15(16)19(25)23-17/h2-9,12H,10-11H2,1H3,(H,21,24)(H2,20,26,27)(H,22,23,25)
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n/an/a 1.44E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM103557
PNG
(ME0327)
Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1
Show InChI InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m1/s1
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n/an/a 1.52E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM103557
PNG
(ME0327)
Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1
Show InChI InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m1/s1
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n/an/a 1.53E+4n/an/an/an/an/an/a



Ume£ University



Assay Description
Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...


ACS Chem Biol 8: 1698-703 (2013)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50104288
PNG
(CHEMBL3594137)
Show SMILES CC(C)(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1/C18H20N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11,16,19H,1-3H3,(H,20,21)
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50104287
PNG
(CHEMBL3594136)
Show SMILES CC(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11,16,18H,1-2H3,(H,19,20)
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50104285
PNG
(CHEMBL3593716)
Show SMILES CN1CCN(CC1)c1nc2CCCCc2c(=O)[nH]1
Show InChI InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-2-4-10(11)12(18)15-13/h2-9H2,1H3,(H,14,15,18)
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n/an/a 9.10E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation


Bioorg Med Chem 23: 4139-49 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM103555
PNG
(ME0354)
Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1
Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50444036
PNG
(CHEMBL3092540)
Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C20H19N3O2/c24-19(22-17-10-9-13-5-1-2-6-14(13)17)12-11-18-21-16-8-4-3-7-15(16)20(25)23-18/h1-8,17H,9-12H2,(H,22,24)(H,21,23,25)/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM103555
PNG
(ME0354)
Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1
Show InChI InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ume£ University



Assay Description
Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 μM with a DMSO concentrationof...


ACS Chem Biol 8: 1698-703 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50444035
PNG
(CHEMBL3092541)
Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCc2ccccc12
Show InChI InChI=1S/C20H19N3O2/c24-19(22-17-10-9-13-5-1-2-6-14(13)17)12-11-18-21-16-8-4-3-7-15(16)20(25)23-18/h1-8,17H,9-12H2,(H,22,24)(H,21,23,25)/t17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50136772
PNG
(CHEMBL3752492)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccncn1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD3 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50136755
PNG
(CHEMBL3752386)
Show SMILES COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2Cl)CCOCC1
Show InChI InChI=1S/C25H25ClN2O5/c1-31-19-7-4-17(5-8-19)25(10-13-32-14-11-25)16-27-23(29)20-9-6-18(15-21(20)26)28-24(30)22-3-2-12-33-22/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,27,29)(H,28,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human ARTD3 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM199181
PNG
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
Show InChI InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu



Assay Description
This assay measures the substrate consumption by quantifying the remaining NAD+ through its chemical conversion to a stable fluorescent condensation ...


Cell Chem Biol 23: 1251-1260 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM27533
PNG
(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)pht...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCCNCC1
Show InChI InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)
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n/an/an/a 70n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM167422
PNG
(US9073893, 22)
Show SMILES Cn1n(C2CCN(CC2)C2CCCCC2)c(=O)c2c(cc(F)cc12)C(N)=O
Show InChI InChI=1S/C20H27FN4O2/c1-23-17-12-13(21)11-16(19(22)26)18(17)20(27)25(23)15-7-9-24(10-8-15)14-5-3-2-4-6-14/h11-12,14-15H,2-10H2,1H3,(H2,22,26)
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n/an/an/a 270n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50277614
PNG
(2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]py...)
Show SMILES Cc1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50226518
PNG
(3-Aminobenzoesaeure | 3-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
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n/an/an/a>2.00E+3n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240720
PNG
(US9422243, 20)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H15FN2O4/c19-11-2-3-12-13(8-11)18(22)21-16(17(12)23-6-5-20)10-1-4-14-15(7-10)25-9-24-14/h1-4,7-8H,5-6,9,20H2,(H,21,22)
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240721
PNG
(US9422243, 21)
Show SMILES COc1ccc(cc1F)-c1[nH]c(=O)c2cc(F)ccc2c1OCCN
Show InChI InChI=1S/C18H16F2N2O3/c1-24-15-5-2-10(8-14(15)20)16-17(25-7-6-21)12-4-3-11(19)9-13(12)18(23)22-16/h2-5,8-9H,6-7,21H2,1H3,(H,22,23)
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n/an/an/a 50n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240704
PNG
(US9422243, 1)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H14BrFN2O2/c18-11-3-1-10(2-4-11)15-16(23-8-7-20)13-6-5-12(19)9-14(13)17(22)21-15/h1-6,9H,7-8,20H2,(H,21,22)
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n/an/an/a 20n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240707
PNG
(US9422243, 4)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(N2CCOCC2)c(Br)c1
Show InChI InChI=1S/C21H21BrFN3O3/c22-17-11-13(1-4-18(17)26-6-9-28-10-7-26)19-20(29-8-5-24)15-3-2-14(23)12-16(15)21(27)25-19/h1-4,11-12H,5-10,24H2,(H,25,27)
PDB
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n/an/an/a 90n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240711
PNG
(US9422243, 8)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClFN2O2/c18-11-3-1-10(2-4-11)15-16(23-8-7-20)13-6-5-12(19)9-14(13)17(22)21-15/h1-6,9H,7-8,20H2,(H,21,22)
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n/an/an/a 30n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240712
PNG
(US9422243, 10)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C17H14F2N2O2/c18-11-3-1-10(2-4-11)15-16(23-8-7-20)13-6-5-12(19)9-14(13)17(22)21-15/h1-6,9H,7-8,20H2,(H,21,22)
PDB
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n/an/an/a 70n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240713
PNG
(US9422243, 11)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H14FN3O2/c19-13-4-5-14-15(9-13)18(23)22-16(17(14)24-7-6-20)12-3-1-2-11(8-12)10-21/h1-5,8-9H,6-7,20H2,(H,22,23)
PDB
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n/an/an/a 20n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240714
PNG
(US9422243, 12)
Show SMILES NCCOc1c([nH]c(=O)c2c(F)c(F)ccc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrF2N2O2/c18-10-3-1-9(2-4-10)15-16(24-8-7-21)11-5-6-12(19)14(20)13(11)17(23)22-15/h1-6H,7-8,21H2,(H,22,23)
PDB
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n/an/an/a 20n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240715
PNG
(US9422243, 13)
Show SMILES Cc1cc(ccc1Cl)-c1[nH]c(=O)c2cc(F)ccc2c1OCCN
Show InChI InChI=1S/C18H16ClFN2O2/c1-10-8-11(2-5-15(10)19)16-17(24-7-6-21)13-4-3-12(20)9-14(13)18(23)22-16/h2-5,8-9H,6-7,21H2,1H3,(H,22,23)
PDB
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n/an/an/a 34n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240716
PNG
(US9422243, 14)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H13Cl2FN2O2/c18-13-4-1-9(7-14(13)19)15-16(24-6-5-21)11-3-2-10(20)8-12(11)17(23)22-15/h1-4,7-8H,5-6,21H2,(H,22,23)
PDB
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n/an/an/a 10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240717
PNG
(US9422243, 15)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H13F3N2O2/c18-10-2-3-11-12(8-10)17(23)22-15(16(11)24-6-5-21)9-1-4-13(19)14(20)7-9/h1-4,7-8H,5-6,21H2,(H,22,23)
PDB
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n/an/an/a 20n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240718
PNG
(US9422243, 18)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(N2CCCC2)c(Br)c1
Show InChI InChI=1S/C21H21BrFN3O2/c22-17-11-13(3-6-18(17)26-8-1-2-9-26)19-20(28-10-7-24)15-5-4-14(23)12-16(15)21(27)25-19/h3-6,11-12H,1-2,7-10,24H2,(H,25,27)
PDB
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UniProtKB/SwissProt

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n/an/an/a 20n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
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