Found 32 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50444034
(CHEMBL3092544)Show SMILES CC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| 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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | 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
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PC sid
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UniChem
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM103557
(ME0327)Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| 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 | PDB
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B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
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| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50444035
(CHEMBL3092541)Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCc2ccccc12 |r| 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
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| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50444028
(CHEMBL3092522)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| 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 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50444036
(CHEMBL3092540)Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCc2ccccc12 |r| 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 | PDB
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| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM103555
(ME0354)Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r| 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
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| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM103555
(ME0354)Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r| 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
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PubMed
| 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 ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | BDBM103558
(ME0328)Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| 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
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PubMed
| 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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | BDBM50444033
(CHEMBL3092553)Show SMILES OC[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| 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
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PubMed
| 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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM103557
(ME0327)Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| 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 | PDB
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antibodypedia
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PC cid
PC sid
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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 ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | BDBM103556
(ME0355)Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r| 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
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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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | 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
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| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50444030
(CHEMBL3092520)Show SMILES C[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| 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 | PDB
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UniChem
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| n/a | n/a | 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM103556
(ME0355)Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r| 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
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| n/a | n/a | 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | BDBM50444034
(CHEMBL3092544)Show SMILES CC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| 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 | PDB
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Article
PubMed
| n/a | n/a | 2.20E+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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | BDBM50444027
(CHEMBL3092523)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| 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 | PDB
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| n/a | n/a | 2.20E+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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50444027
(CHEMBL3092523)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| 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 | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50444029
(CHEMBL3092521)Show SMILES CC[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| 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 | PDB
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| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM103558
(ME0328)Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| 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
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| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | BDBM50444028
(CHEMBL3092522)Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| 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 | PDB
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| n/a | n/a | 3.80E+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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM103558
(ME0328)Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| 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
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| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of full length ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50444033
(CHEMBL3092553)Show SMILES OC[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| 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
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| n/a | n/a | 6.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM103556
(ME0355)Show SMILES C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r| 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
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| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ume£ University
Curated by ChEMBL
| Assay Description
Inhibition of full length ATRD1 (unknown origin) |
J Med Chem 56: 9556-68 (2014)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | BDBM50444029
(CHEMBL3092521)Show SMILES CC[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| 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 | PDB
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| n/a | n/a | 9.60E+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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | BDBM50444030
(CHEMBL3092520)Show SMILES C[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| 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 | PDB
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| n/a | n/a | 1.11E+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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | 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
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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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | 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
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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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | BDBM103557
(ME0327)Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| 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 | PDB
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| n/a | n/a | 1.52E+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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | BDBM103555
(ME0354)Show SMILES C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 |r| 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
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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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | BDBM50444035
(CHEMBL3092541)Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCc2ccccc12 |r| 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
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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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | BDBM50444036
(CHEMBL3092540)Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCc2ccccc12 |r| 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 | PDB
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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)
Article DOI: 10.1021/jm401394u
BindingDB Entry DOI: 10.7270/Q2Q52R32 |
More data for this
Ligand-Target Pair | |
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