Found 99 hits with Last Name = 'dixon' and Initial = 'l' 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)) | BDBM50165496
(1-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)m...)Show SMILES Cc1cc(O)n(c1O)-c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F |(2.63,-45.05,;1.1,-44.9,;.32,-43.57,;-1.18,-43.9,;-2.34,-42.88,;-1.33,-45.44,;.08,-46.05,;.41,-47.56,;-2.66,-46.22,;-3.99,-45.46,;-5.31,-46.24,;-6.65,-45.47,;-6.65,-43.93,;-5.32,-43.16,;-5.32,-41.61,;-6.67,-40.84,;-6.68,-39.3,;-8,-41.62,;-9.34,-40.86,;-10.66,-41.63,;-10.67,-43.18,;-9.33,-43.95,;-7.99,-43.17,;-5.31,-47.78,;-3.98,-48.54,;-2.65,-47.77,;-1.31,-48.53,)| Show InChI InChI=1S/C20H16FN3O3/c1-11-8-18(25)24(20(11)27)17-10-12(6-7-15(17)21)9-16-13-4-2-3-5-14(13)19(26)23-22-16/h2-8,10,25,27H,9H2,1H3,(H,23,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165488
(1-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)m...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1N1C(=O)CCCC1=O Show InChI InChI=1S/C20H16FN3O3/c21-15-9-8-12(11-17(15)24-18(25)6-3-7-19(24)26)10-16-13-4-1-2-5-14(13)20(27)23-22-16/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,23,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177458
(4-(4-fluoro-3-(1-propyl-1,4-diazepane-4-carbonyl)b...)Show SMILES CCCN1CCCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C24H27FN4O2/c1-2-10-28-11-5-12-29(14-13-28)24(31)20-15-17(8-9-21(20)25)16-22-18-6-3-4-7-19(18)23(30)27-26-22/h3-4,6-9,15H,2,5,10-14,16H2,1H3,(H,27,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165497
(3-[2-Fluoro-5-(4-oxo-3,4-dihydro-phthalazin-1-ylme...)Show SMILES Oc1c2Cc2c(O)n1-c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F |(1.35,.12,;2.5,-.91,;4,-.58,;5.54,-.58,;4.77,-1.92,;3.74,-3.06,;3.97,-4.57,;2.34,-2.43,;1.01,-3.22,;-.32,-2.45,;-1.66,-3.22,;-2.99,-2.45,;-2.99,-.91,;-1.65,-.14,;-1.65,1.4,;-2.99,2.17,;-2.99,3.71,;-4.32,1.4,;-5.65,2.17,;-6.99,1.4,;-6.99,-.14,;-5.65,-.91,;-4.32,-.14,;-1.66,-4.77,;-.33,-5.54,;1.01,-4.77,;2.36,-5.54,)| Show InChI InChI=1S/C20H14FN3O3/c21-15-6-5-10(8-17(15)24-19(26)13-9-14(13)20(24)27)7-16-11-3-1-2-4-12(11)18(25)23-22-16/h1-6,8,26-27H,7,9H2,(H,23,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165486
(1-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)m...)Show SMILES Oc1ccc(O)n1-c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F |(35.28,-33.78,;34.95,-32.28,;35.97,-31.13,;35.19,-29.8,;33.69,-30.13,;32.54,-29.11,;33.55,-31.67,;32.22,-32.45,;30.88,-31.69,;29.56,-32.47,;28.22,-31.7,;28.22,-30.16,;29.56,-29.39,;29.55,-27.84,;28.2,-27.07,;28.19,-25.53,;26.87,-27.85,;25.53,-27.09,;24.21,-27.86,;24.21,-29.4,;25.54,-30.17,;26.88,-29.4,;29.56,-34,;30.89,-34.77,;32.23,-33.99,;33.56,-34.76,)| Show InChI InChI=1S/C19H14FN3O3/c20-14-6-5-11(10-16(14)23-17(24)7-8-18(23)25)9-15-12-3-1-2-4-13(12)19(26)22-21-15/h1-8,10,24-25H,9H2,(H,22,26) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177446
(4-(3-(1-(cyclopropylmethyl)-1,4-diazepane-4-carbon...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCCN(CC2CC2)CC1 Show InChI InChI=1S/C25H27FN4O2/c26-22-9-8-18(15-23-19-4-1-2-5-20(19)24(31)28-27-23)14-21(22)25(32)30-11-3-10-29(12-13-30)16-17-6-7-17/h1-2,4-5,8-9,14,17H,3,6-7,10-13,15-16H2,(H,28,31) | PDB
MMDB
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177440
(4-(3-(1-cyclohexyl-1,4-diazepane-4-carbonyl)-4-flu...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCCN(CC1)C1CCCCC1 Show InChI InChI=1S/C27H31FN4O2/c28-24-12-11-19(18-25-21-9-4-5-10-22(21)26(33)30-29-25)17-23(24)27(34)32-14-6-13-31(15-16-32)20-7-2-1-3-8-20/h4-5,9-12,17,20H,1-3,6-8,13-16,18H2,(H,30,33) | PDB
MMDB
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177441
(4-(3-(1-cyclohexyl-1,4-diazepane-4-carbonyl)benzyl...)Show SMILES O=C(N1CCCN(CC1)C1CCCCC1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C27H32N4O2/c32-26-24-13-5-4-12-23(24)25(28-29-26)19-20-8-6-9-21(18-20)27(33)31-15-7-14-30(16-17-31)22-10-2-1-3-11-22/h4-6,8-9,12-13,18,22H,1-3,7,10-11,14-17,19H2,(H,29,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177453
(4-{3-[4-(biphenyl-4-sulfonyl)-[1,4]diazepane-1-car...)Show SMILES O=C(N1CCCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccccc1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C33H30N4O4S/c38-32-30-13-5-4-12-29(30)31(34-35-32)23-24-8-6-11-27(22-24)33(39)36-18-7-19-37(21-20-36)42(40,41)28-16-14-26(15-17-28)25-9-2-1-3-10-25/h1-6,8-17,22H,7,18-21,23H2,(H,35,38) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165498
(1-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)m...)Show SMILES Oc1cc(c(O)n1-c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)-c1ccccc1 |(14.66,-43.53,;15.81,-44.55,;17.31,-44.22,;18.09,-45.55,;17.07,-46.7,;17.4,-48.2,;15.67,-46.09,;14.34,-46.87,;13,-46.11,;11.68,-46.89,;10.34,-46.12,;10.34,-44.58,;11.68,-43.8,;11.67,-42.26,;10.32,-41.48,;10.31,-39.94,;8.99,-42.27,;7.65,-41.51,;6.33,-42.28,;6.33,-43.82,;7.66,-44.59,;9,-43.82,;11.68,-48.42,;13.01,-49.19,;14.35,-48.41,;15.68,-49.18,;19.63,-45.56,;20.38,-46.9,;21.92,-46.92,;22.71,-45.59,;21.94,-44.24,;20.41,-44.23,)| Show InChI InChI=1S/C25H18FN3O3/c26-20-11-10-15(12-21-17-8-4-5-9-18(17)24(31)28-27-21)13-22(20)29-23(30)14-19(25(29)32)16-6-2-1-3-7-16/h1-11,13-14,30,32H,12H2,(H,28,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
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
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177462
(4-(3-(1-ethyl-1,4-diazepane-4-carbonyl)-4-fluorobe...)Show SMILES CCN1CCCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C23H25FN4O2/c1-2-27-10-5-11-28(13-12-27)23(30)19-14-16(8-9-20(19)24)15-21-17-6-3-4-7-18(17)22(29)26-25-21/h3-4,6-9,14H,2,5,10-13,15H2,1H3,(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177450
(4-(3-(1-(3-(trifluoromethyl)phenylsulfonyl)-1,4-di...)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C28H25F3N4O4S/c29-28(30,31)21-8-4-9-22(18-21)40(38,39)35-13-5-12-34(14-15-35)27(37)20-7-3-6-19(16-20)17-25-23-10-1-2-11-24(23)26(36)33-32-25/h1-4,6-11,16,18H,5,12-15,17H2,(H,33,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177463
(1-(3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)ben...)Show SMILES O=C(NCCc1cccs1)C1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C28H28N4O3S/c33-26(29-13-10-22-7-4-16-36-22)20-11-14-32(15-12-20)28(35)21-6-3-5-19(17-21)18-25-23-8-1-2-9-24(23)27(34)31-30-25/h1-9,16-17,20H,10-15,18H2,(H,29,33)(H,31,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177457
(4-(3-(1-(3-(3-methoxyphenyl)propanoyl)-1,4-diazepa...)Show SMILES COc1cccc(CCC(=O)N2CCCN(CC2)C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)c1 Show InChI InChI=1S/C31H32N4O4/c1-39-25-10-5-7-22(20-25)13-14-29(36)34-15-6-16-35(18-17-34)31(38)24-9-4-8-23(19-24)21-28-26-11-2-3-12-27(26)30(37)33-32-28/h2-5,7-12,19-20H,6,13-18,21H2,1H3,(H,33,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177460
(CHEMBL204862 | N-(4-methoxyphenyl)-4-(3-((4-oxo-3,...)Show SMILES COc1ccc(NC(=O)N2CCCN(CC2)C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)cc1 Show InChI InChI=1S/C29H29N5O4/c1-38-23-12-10-22(11-13-23)30-29(37)34-15-5-14-33(16-17-34)28(36)21-7-4-6-20(18-21)19-26-24-8-2-3-9-25(24)27(35)32-31-26/h2-4,6-13,18H,5,14-17,19H2,1H3,(H,30,37)(H,32,35) | PDB
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antibodypedia
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UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177445
(4-((3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)p...)Show SMILES O=C(N1CCc2ccccc2C1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C25H21N3O2/c29-24-22-11-4-3-10-21(22)23(26-27-24)15-17-6-5-9-19(14-17)25(30)28-13-12-18-7-1-2-8-20(18)16-28/h1-11,14H,12-13,15-16H2,(H,27,29) | PDB
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PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177447
(4-(3-(4-(4-methylpiperidine-1-carbonyl)piperidine-...)Show SMILES CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C28H32N4O3/c1-19-9-13-31(14-10-19)27(34)21-11-15-32(16-12-21)28(35)22-6-4-5-20(17-22)18-25-23-7-2-3-8-24(23)26(33)30-29-25/h2-8,17,19,21H,9-16,18H2,1H3,(H,30,33) | PDB
MMDB
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antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177465
(CHEMBL201981 | N-methyl-N-(2-methylbutyl)-1-(3-((4...)Show SMILES CCC(C)CN(C)C(=O)C1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C28H34N4O3/c1-4-19(2)18-31(3)27(34)21-12-14-32(15-13-21)28(35)22-9-7-8-20(16-22)17-25-23-10-5-6-11-24(23)26(33)30-29-25/h5-11,16,19,21H,4,12-15,17-18H2,1-3H3,(H,30,33) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177466
(CHEMBL203765 | N-benzyl-N-methyl-1-(3-((4-oxo-3,4-...)Show SMILES CN(Cc1ccccc1)C(=O)C1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C30H30N4O3/c1-33(20-21-8-3-2-4-9-21)29(36)23-14-16-34(17-15-23)30(37)24-11-7-10-22(18-24)19-27-25-12-5-6-13-26(25)28(35)32-31-27/h2-13,18,23H,14-17,19-20H2,1H3,(H,32,35) | PDB
MMDB
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PC sid
UniChem
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177461
(4-(4-fluoro-3-(1-methyl-1,4-diazepane-4-carbonyl)b...)Show SMILES CN1CCCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C22H23FN4O2/c1-26-9-4-10-27(12-11-26)22(29)18-13-15(7-8-19(18)23)14-20-16-5-2-3-6-17(16)21(28)25-24-20/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,25,28) | PDB
MMDB
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B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177452
(4-(3-(1-(2-chloro-6-methoxyisonicotinoyl)-1,4-diaz...)Show SMILES COc1cc(cc(Cl)n1)C(=O)N1CCCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C28H26ClN5O4/c1-38-25-17-20(16-24(29)30-25)28(37)34-11-5-10-33(12-13-34)27(36)19-7-4-6-18(14-19)15-23-21-8-2-3-9-22(21)26(35)32-31-23/h2-4,6-9,14,16-17H,5,10-13,15H2,1H3,(H,32,35) | PDB
MMDB
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B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177444
(4-(3-(1,4-diazepane-1-carbonyl)benzyl)phthalazin-1...)Show SMILES O=C(N1CCCNCC1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C21H22N4O2/c26-20-18-8-2-1-7-17(18)19(23-24-20)14-15-5-3-6-16(13-15)21(27)25-11-4-9-22-10-12-25/h1-3,5-8,13,22H,4,9-12,14H2,(H,24,26) | PDB
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B.MOAD
antibodypedia
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PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165492
(1-[2-Fluoro-5-(4-oxo-3,4-dihydro-phthalazin-1-ylme...)Show SMILES CN1CC(=O)N(C(=O)C1)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C20H17FN4O3/c1-24-10-18(26)25(19(27)11-24)17-9-12(6-7-15(17)21)8-16-13-4-2-3-5-14(13)20(28)23-22-16/h2-7,9H,8,10-11H2,1H3,(H,23,28) | PDB
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PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165479
(1-[2-Fluoro-5-(4-oxo-3,4-dihydro-phthalazin-1-ylme...)Show SMILES CC1(C)CC(=O)N(C1=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C21H18FN3O3/c1-21(2)11-18(26)25(20(21)28)17-10-12(7-8-15(17)22)9-16-13-5-3-4-6-14(13)19(27)24-23-16/h3-8,10H,9,11H2,1-2H3,(H,24,27) | PDB
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PC sid
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PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165499
(1-(4-Methoxy-phenyl)-3-methyl-1H-pyrazole-4-carbox...)Show SMILES COc1ccc(cc1)-n1cc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)c(C)n1 Show InChI InChI=1S/C27H23N5O3/c1-17-24(16-32(31-17)20-10-12-21(35-2)13-11-20)26(33)28-19-7-5-6-18(14-19)15-25-22-8-3-4-9-23(22)27(34)30-29-25/h3-14,16H,15H2,1-2H3,(H,28,33)(H,30,34) | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177451
(4-(3-(1-propyl-1,4-diazepane-4-carbonyl)benzyl)pht...)Show SMILES CCCN1CCCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C24H28N4O2/c1-2-11-27-12-6-13-28(15-14-27)24(30)19-8-5-7-18(16-19)17-22-20-9-3-4-10-21(20)23(29)26-25-22/h3-5,7-10,16H,2,6,11-15,17H2,1H3,(H,26,29) | PDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165478
(1-(3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phe...)Show SMILES Oc1ccc(O)n1-c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C19H15N3O3/c23-17-8-9-18(24)22(17)13-5-3-4-12(10-13)11-16-14-6-1-2-7-15(14)19(25)21-20-16/h1-10,23-24H,11H2,(H,21,25) | PDB
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PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177439
(4-(3-(1-(3,5-dimethylisoxazol-4-ylsulfonyl)-1,4-di...)Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C26H27N5O5S/c1-17-24(18(2)36-29-17)37(34,35)31-12-6-11-30(13-14-31)26(33)20-8-5-7-19(15-20)16-23-21-9-3-4-10-22(21)25(32)28-27-23/h3-5,7-10,15H,6,11-14,16H2,1-2H3,(H,28,32) | PDB
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165487
(1-[3-(4-Oxo-3,4-dihydro-phthalazin-1-ylmethyl)-phe...)Show SMILES O=C1C=CC(=O)N1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 |c:2| Show InChI InChI=1S/C19H13N3O3/c23-17-8-9-18(24)22(17)13-5-3-4-12(10-13)11-16-14-6-1-2-7-15(14)19(25)21-20-16/h1-10H,11H2,(H,21,25) | PDB
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antibodypedia
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PC sid
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165485
(2,2,2-Trifluoro-N-[3-(4-oxo-3,4-dihydro-phthalazin...)Show SMILES FC(F)(F)C(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C17H12F3N3O2/c18-17(19,20)16(25)21-11-5-3-4-10(8-11)9-14-12-6-1-2-7-13(12)15(24)23-22-14/h1-8H,9H2,(H,21,25)(H,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177464
(4-(3-(1-(cyclopropylmethyl)-1,4-diazepane-4-carbon...)Show SMILES O=C(N1CCCN(CC2CC2)CC1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C25H28N4O2/c30-24-22-8-2-1-7-21(22)23(26-27-24)16-19-5-3-6-20(15-19)25(31)29-12-4-11-28(13-14-29)17-18-9-10-18/h1-3,5-8,15,18H,4,9-14,16-17H2,(H,27,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177454
(4-(3-(4-(piperidine-1-carbonyl)piperidine-1-carbon...)Show SMILES O=C(C1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCCCC1 Show InChI InChI=1S/C27H30N4O3/c32-25-23-10-3-2-9-22(23)24(28-29-25)18-19-7-6-8-21(17-19)27(34)31-15-11-20(12-16-31)26(33)30-13-4-1-5-14-30/h2-3,6-10,17,20H,1,4-5,11-16,18H2,(H,29,32) | PDB
MMDB
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177443
(CHEMBL381382 | N-cyclopentyl-1-(3-((4-oxo-3,4-dihy...)Show SMILES O=C(NC1CCCC1)C1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C27H30N4O3/c32-25(28-21-8-1-2-9-21)19-12-14-31(15-13-19)27(34)20-7-5-6-18(16-20)17-24-22-10-3-4-11-23(22)26(33)30-29-24/h3-7,10-11,16,19,21H,1-2,8-9,12-15,17H2,(H,28,32)(H,30,33) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177448
(CHEMBL202313 | ethyl 1-(3-((4-oxo-3,4-dihydrophtha...)Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C24H25N3O4/c1-2-31-24(30)17-10-12-27(13-11-17)23(29)18-7-5-6-16(14-18)15-21-19-8-3-4-9-20(19)22(28)26-25-21/h3-9,14,17H,2,10-13,15H2,1H3,(H,26,28) | PDB
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PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177442
(4-(3-(1-ethyl-1,4-diazepane-4-carbonyl)benzyl)phth...)Show SMILES CCN1CCCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C23H26N4O2/c1-2-26-11-6-12-27(14-13-26)23(29)18-8-5-7-17(15-18)16-21-19-9-3-4-10-20(19)22(28)25-24-21/h3-5,7-10,15H,2,6,11-14,16H2,1H3,(H,25,28) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27542
(4-(3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H...)Show SMILES O=C(N1CCNCC1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C20H20N4O2/c25-19-17-7-2-1-6-16(17)18(22-23-19)13-14-4-3-5-15(12-14)20(26)24-10-8-21-9-11-24/h1-7,12,21H,8-11,13H2,(H,23,25) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177459
(4-(3-(4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol...)Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C33H34N4O5/c1-41-29-18-23-12-15-37(20-25(23)19-30(29)42-2)32(39)22-10-13-36(14-11-22)33(40)24-7-5-6-21(16-24)17-28-26-8-3-4-9-27(26)31(38)35-34-28/h3-9,16,18-19,22H,10-15,17,20H2,1-2H3,(H,35,38) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177456
(CHEMBL202294 | N-isobutyl-1-(3-((4-oxo-3,4-dihydro...)Show SMILES CC(C)CNC(=O)C1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C26H30N4O3/c1-17(2)16-27-24(31)19-10-12-30(13-11-19)26(33)20-7-5-6-18(14-20)15-23-21-8-3-4-9-22(21)25(32)29-28-23/h3-9,14,17,19H,10-13,15-16H2,1-2H3,(H,27,31)(H,29,32) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165472
(1-(2-chloro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)m...)Show SMILES Oc1ccc(O)n1-c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1Cl |(18.5,-33.78,;18.16,-32.28,;19.19,-31.13,;18.41,-29.8,;16.9,-30.13,;15.75,-29.11,;16.76,-31.67,;15.43,-32.45,;14.1,-31.69,;12.77,-32.47,;11.44,-31.7,;11.43,-30.16,;12.77,-29.39,;12.76,-27.84,;11.42,-27.07,;11.41,-25.53,;10.09,-27.85,;8.75,-27.09,;7.42,-27.86,;7.42,-29.4,;8.75,-30.17,;10.1,-29.4,;12.77,-34,;14.11,-34.77,;15.44,-33.99,;16.78,-34.76,)| Show InChI InChI=1S/C19H14ClN3O3/c20-14-6-5-11(10-16(14)23-17(24)7-8-18(23)25)9-15-12-3-1-2-4-13(12)19(26)22-21-15/h1-8,10,24-25H,9H2,(H,22,26) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165477
(CHEMBL371425 | N-(3-((4-oxo-3,4-dihydrophthalazin-...)Show InChI InChI=1S/C18H17N3O2/c1-2-17(22)19-13-7-5-6-12(10-13)11-16-14-8-3-4-9-15(14)18(23)21-20-16/h3-10H,2,11H2,1H3,(H,19,22)(H,21,23) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165477
(CHEMBL371425 | N-(3-((4-oxo-3,4-dihydrophthalazin-...)Show InChI InChI=1S/C18H17N3O2/c1-2-17(22)19-13-7-5-6-12(10-13)11-16-14-8-3-4-9-15(14)18(23)21-20-16/h3-10H,2,11H2,1H3,(H,19,22)(H,21,23) | PDB
MMDB
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| CHEMBL
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177437
(4-(3-(1-methyl-1,4-diazepane-4-carbonyl)benzyl)pht...)Show SMILES CN1CCCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C22H24N4O2/c1-25-10-5-11-26(13-12-25)22(28)17-7-4-6-16(14-17)15-20-18-8-2-3-9-19(18)21(27)24-23-20/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,27) | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165480
(4-Methyl-2-phenyl-thiazole-5-carboxylic acid [3-(4...)Show SMILES Cc1nc(sc1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)-c1ccccc1 Show InChI InChI=1S/C26H20N4O2S/c1-16-23(33-26(27-16)18-9-3-2-4-10-18)25(32)28-19-11-7-8-17(14-19)15-22-20-12-5-6-13-21(20)24(31)30-29-22/h2-14H,15H2,1H3,(H,28,32)(H,30,31) | PDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165484
(1-(2-methoxy-5-((4-oxo-3,4-dihydrophthalazin-1-yl)...)Show SMILES COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1-n1c(O)ccc1O |(-3.66,1.78,;-4.47,.48,;-3.75,-.88,;-2.22,-.93,;-1.48,-2.29,;-2.3,-3.61,;-1.58,-4.97,;-.04,-5.02,;.68,-6.38,;2.21,-6.44,;3.03,-5.13,;4.57,-5.19,;2.31,-3.77,;3.13,-2.47,;2.41,-1.1,;.86,-1.05,;.05,-2.35,;.77,-3.71,;-3.85,-3.55,;-4.57,-2.19,;-6.11,-2.13,;-7.06,-3.34,;-6.64,-4.82,;-8.51,-2.81,;-8.45,-1.27,;-6.97,-.85,;-6.44,.6,)| Show InChI InChI=1S/C20H17N3O4/c1-27-17-7-6-12(11-16(17)23-18(24)8-9-19(23)25)10-15-13-4-2-3-5-14(13)20(26)22-21-15/h2-9,11,24-25H,10H2,1H3,(H,22,26) | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165474
(3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl...)Show InChI InChI=1S/C17H14N2O3/c1-11(20)22-13-6-4-5-12(9-13)10-16-14-7-2-3-8-15(14)17(21)19-18-16/h2-9H,10H2,1H3,(H,19,21) | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177467
(4-(3-(morpholine-4-carbonyl)benzyl)phthalazin-1(2H...)Show SMILES O=C(N1CCOCC1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C20H19N3O3/c24-19-17-7-2-1-6-16(17)18(21-22-19)13-14-4-3-5-15(12-14)20(25)23-8-10-26-11-9-23/h1-7,12H,8-11,13H2,(H,22,24) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50177438
(CHEMBL202387 | N-(2-(dimethylamino)ethyl)-N-methyl...)Show SMILES CN(C)CCN(C)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C21H24N4O2/c1-24(2)11-12-25(3)21(27)16-8-6-7-15(13-16)14-19-17-9-4-5-10-18(17)20(26)23-22-19/h4-10,13H,11-12,14H2,1-3H3,(H,23,26) | PDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against PARP1 |
Bioorg Med Chem Lett 16: 1040-4 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.081
BindingDB Entry DOI: 10.7270/Q25T3K12 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165495
(CHEMBL193903 | N-[3-(4-Oxo-3,4-dihydro-phthalazin-...)Show SMILES O=C(Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)c1ccc(nc1)-n1cccn1 Show InChI InChI=1S/C24H18N6O2/c31-23(17-9-10-22(25-15-17)30-12-4-11-26-30)27-18-6-3-5-16(13-18)14-21-19-7-1-2-8-20(19)24(32)29-28-21/h1-13,15H,14H2,(H,27,31)(H,29,32) | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50165483
(CHEMBL381208 | N-Ethyl-3-(4-oxo-3,4-dihydro-phthal...)Show InChI InChI=1S/C18H17N3O2/c1-2-19-17(22)13-7-5-6-12(10-13)11-16-14-8-3-4-9-15(14)18(23)21-20-16/h3-10H,2,11H2,1H3,(H,19,22)(H,21,23) | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
KuDOS Horsham Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1) |
Bioorg Med Chem Lett 15: 2235-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.026
BindingDB Entry DOI: 10.7270/Q2QV3M0B |
More data for this
Ligand-Target Pair | |
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