Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50028623 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)) | 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
UniProtKB/SwissProt
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 |
J Med Chem 52: 3108-11 (2009)
Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 |
J Med Chem 52: 3108-11 (2009)
Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | 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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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 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)
Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | 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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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 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)
Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Binding affinity to human PARP1 by isothermal titration colorimetry |
J Med Chem 52: 3108-11 (2009)
Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Binding affinity to human PARP1 by isothermal titration colorimetry |
J Med Chem 52: 3108-11 (2009)
Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Binding affinity to human PARP1 |
J Med Chem 52: 3108-11 (2009)
Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV |
More data for this Ligand-Target Pair | |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | 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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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
| MMDB PDB Article PubMed
| 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)
Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein mono-ADP-ribosyltransferase PARP3 [R100H]
(Homo sapiens (Human)) | 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
KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 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)
Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
Institutet
Curated by ChEMBL
| Assay Description Binding affinity to human PARP1 by isothermal titration colorimetry |
J Med Chem 52: 3108-11 (2009)
Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV |
More data for this Ligand-Target Pair | |