Found 18 hits for monomerid = 27497,27533,27566,103554,103555,103556,103558,50226518,50277614,50316226,50318567,50444031,50444032,50444033,50444035 Target (Institution) | Ligand | Target Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM103554
 (STO1131 | US8551988, 39)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) | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM50318567
 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)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) | PDB MMDB
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM103556
 (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 | PDB MMDB
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM103558
 (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 | PDB MMDB
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| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM27566
 (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) | PDB MMDB
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| US Patent
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50226518
 (3-Aminobenzoesaeure | 3-aminobenzoic acid | CHEMBL...)Show InChI InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10) | PDB MMDB
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Similars AffyNet 
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| n/a | n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM50277614
 (2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]py...)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) | PDB MMDB
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| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM27497
 (2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridi...)Show InChI InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22) | PDB MMDB
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| n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM27533
 (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) | PDB MMDB
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| n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM50316226
 ((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 | PDB MMDB
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50444031
 (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) | PDB MMDB
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| n/a | n/a | 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM50444032
 (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) | PDB MMDB
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| n/a | n/a | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM50444033
 (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 | PDB MMDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM50444035
 (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 | PDB MMDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM103556
 (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 | PDB MMDB
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM103555
 (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 | PDB MMDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM103558
 (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 | PDB MMDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(Homo sapiens) | BDBM103555
 (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 | PDB MMDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |