Found 4456 hits of ic50 data for polymerid = 232 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)) | BDBM50276697
(CHEMBL4169012)Show SMILES Fc1cc(Cc2n[nH]c(=O)c3ccccc23)cc(C(=O)N2CCN(CC2)c2ccccc2C#N)c1F Show InChI InChI=1S/C27H21F2N5O2/c28-22-14-17(15-23-19-6-2-3-7-20(19)26(35)32-31-23)13-21(25(22)29)27(36)34-11-9-33(10-12-34)24-8-4-1-5-18(24)16-30/h1-8,13-14H,9-12,15H2,(H,32,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) by ELISA |
Eur J Med Chem 138: 514-531 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.053
BindingDB Entry DOI: 10.7270/Q2HT2RVM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50276721
(CHEMBL4161087)Show SMILES Cc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F Show InChI InChI=1S/C27H24F2N4O2/c1-17-6-8-19(9-7-17)32-10-12-33(13-11-32)27(35)22-14-18(15-23(28)25(22)29)16-24-20-4-2-3-5-21(20)26(34)31-30-24/h2-9,14-15H,10-13,16H2,1H3,(H,31,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) by ELISA |
Eur J Med Chem 138: 514-531 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.053
BindingDB Entry DOI: 10.7270/Q2HT2RVM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50276669
(CHEMBL4170665)Show SMILES Fc1cc(Cc2n[nH]c(=O)c3ccccc23)cc(C(=O)N2CCN(CC2)c2ccccn2)c1F Show InChI InChI=1S/C25H21F2N5O2/c26-20-14-16(15-21-17-5-1-2-6-18(17)24(33)30-29-21)13-19(23(20)27)25(34)32-11-9-31(10-12-32)22-7-3-4-8-28-22/h1-8,13-14H,9-12,15H2,(H,30,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) by ELISA |
Eur J Med Chem 138: 514-531 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.053
BindingDB Entry DOI: 10.7270/Q2HT2RVM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50571287
(CHEMBL4845834)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PARP1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128169
BindingDB Entry DOI: 10.7270/Q2VD7380 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM240715
(US9422243, 13)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
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | 37 |
NERVIANO MEDICAL SCIENCES S.R.L. a corporation
US Patent
| Assay Description
Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37° C.,... |
US Patent US9422243 (2016)
BindingDB Entry DOI: 10.7270/Q2T72GBH |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50129952
(2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PARP-1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735
BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50276741
(CHEMBL4159834)Show SMILES Fc1cc(Cc2n[nH]c(=O)c3ccccc23)cc(C(=O)N2CCN(CC2)c2nccs2)c1F Show InChI InChI=1S/C23H19F2N5O2S/c24-18-12-14(13-19-15-3-1-2-4-16(15)21(31)28-27-19)11-17(20(18)25)22(32)29-6-8-30(9-7-29)23-26-5-10-33-23/h1-5,10-12H,6-9,13H2,(H,28,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) by ELISA |
Eur J Med Chem 138: 514-531 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.053
BindingDB Entry DOI: 10.7270/Q2HT2RVM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50571283
(CHEMBL4867855)Show SMILES NC(=O)c1cncc2[nH]c(nc12)C1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PARP1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128169
BindingDB Entry DOI: 10.7270/Q2VD7380 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50594028
(CHEMBL5176874)Show SMILES COc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(CC3)C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)cc2)cc1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114109
BindingDB Entry DOI: 10.7270/Q2XK8KKJ |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50594028
(CHEMBL5176874)Show SMILES COc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(CC3)C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)cc2)cc1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114417
BindingDB Entry DOI: 10.7270/Q2RB78MX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50427934
(CHEMBL2322618)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C27H21FN4O3/c28-21-9-8-15(13-22-17-5-1-2-6-18(17)26(34)31-30-22)12-20(21)27(35)32-11-10-16-4-3-7-19-24(16)23(32)14-29-25(19)33/h1-9,12,23H,10-11,13-14H2,(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 | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PARP1 after 1 hr by ELISA |
J Med Chem 56: 2885-903 (2013)
Article DOI: 10.1021/jm301825t
BindingDB Entry DOI: 10.7270/Q26M385C |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM553940
(US11325906, Example 4)Show SMILES CCc1cc2ncc(CN3CCN(CC3)c3ccc(nc3)C(=O)NC)cc2[nH]c1=O | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129046
BindingDB Entry DOI: 10.7270/Q2V41095 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50602040
(CHEMBL5180001)Show SMILES CCc1cc2ncc(CN3CC4CN(CC4C3)c3ccc(nc3)C(=O)NC)cc2[nH]c1=O | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129046
BindingDB Entry DOI: 10.7270/Q2V41095 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50602039
(CHEMBL5206717)Show SMILES CCc1cc2ncc(CN3CCc4cc(\C=C\C(=O)NC)ccc4C3)cc2[nH]c1=O | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129046
BindingDB Entry DOI: 10.7270/Q2V41095 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50276668
(CHEMBL4171279)Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F Show InChI InChI=1S/C26H21F2N5O4/c27-22-14-16(15-23-19-3-1-2-4-20(19)25(34)30-29-23)13-21(24(22)28)26(35)32-11-9-31(10-12-32)17-5-7-18(8-6-17)33(36)37/h1-8,13-14H,9-12,15H2,(H,30,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) by ELISA |
Eur J Med Chem 138: 514-531 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.053
BindingDB Entry DOI: 10.7270/Q2HT2RVM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50571290
(CHEMBL4870329)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2c(C1)nc1ccc(Cl)cc21 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PARP1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128169
BindingDB Entry DOI: 10.7270/Q2VD7380 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50548675
(CHEMBL4800042)Show SMILES NC(=O)c1ccc(cc1)N1CCN(CCCc2cc3c(N)cc(F)cc3c(=O)[nH]2)CC1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of N-terminal GST-tagged human full length PARP1 (2 to 1041 residues) expressed in baculovirus infected Sf9 cells using histone mixture (H... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115819
BindingDB Entry DOI: 10.7270/Q21N84R1 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50276711
(CHEMBL4169337)Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F Show InChI InChI=1S/C26H21F3N4O2/c27-17-5-7-18(8-6-17)32-9-11-33(12-10-32)26(35)21-13-16(14-22(28)24(21)29)15-23-19-3-1-2-4-20(19)25(34)31-30-23/h1-8,13-14H,9-12,15H2,(H,31,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) by ELISA |
Eur J Med Chem 138: 514-531 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.053
BindingDB Entry DOI: 10.7270/Q2HT2RVM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50596000
(CHEMBL5182785)Show SMILES NC1CCN(Cc2ccc(cc2)-c2[nH]c3cc(F)cc4C(=O)NCCc2c34)CC1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113898
BindingDB Entry DOI: 10.7270/Q27H1PMP |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50602030
(CHEMBL5176160)Show SMILES CCc1cc2ncc(CN3CCN(CC3)c3ccc4cn[nH]c4n3)cc2[nH]c1=O | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129046
BindingDB Entry DOI: 10.7270/Q2V41095 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50520035
(CHEMBL4461392)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1nc(nc(n1)-c1cccc2[nH]ncc12)N1CCOCC1 Show InChI InChI=1S/C34H31FN10O3/c35-27-9-8-21(19-29-22-4-1-2-5-24(22)31(46)42-41-29)18-25(27)32(47)43-10-12-44(13-11-43)33-37-30(23-6-3-7-28-26(23)20-36-40-28)38-34(39-33)45-14-16-48-17-15-45/h1-9,18,20H,10-17,19H2,(H,36,40)(H,42,46) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.437 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PARP1 using histone as substrate after 1 hr in presence of biotinylated NAD+ by ELISA |
J Med Chem 63: 122-139 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00622
BindingDB Entry DOI: 10.7270/Q21G0QPD |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50571289
(CHEMBL4870960)Show SMILES Cc1ccc2nc3CN(CCn3c2c1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PARP1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128169
BindingDB Entry DOI: 10.7270/Q2VD7380 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50602049
(CHEMBL5179882)Show SMILES CCc1cc2ncc(CN3CC[C@H](C3)Nc3ccc(nc3)C(=O)NC)cc2[nH]c1=O |r| | PDB
MMDB
UniProtKB/SwissProt
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| PC cid
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| Article
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| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129046
BindingDB Entry DOI: 10.7270/Q2V41095 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50594024
(CHEMBL5174780)Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(CC3)C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)cc2)cc1 | PDB
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| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114417
BindingDB Entry DOI: 10.7270/Q2RB78MX |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50571288
(CHEMBL4860422)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2c(C1)nc1ccccc21 | PDB
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| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PARP1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128169
BindingDB Entry DOI: 10.7270/Q2VD7380 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50306267
(1-(2-(4-phenylpiperidin-1-yl)acetyl)-2,3,9,9a-tetr...)Show SMILES O=C(CN1CCC(CC1)c1ccccc1)N1CCc2cccc3C(=O)NCC1c23 Show InChI InChI=1S/C24H27N3O2/c28-22(16-26-12-9-18(10-13-26)17-5-2-1-3-6-17)27-14-11-19-7-4-8-20-23(19)21(27)15-25-24(20)29/h1-8,18,21H,9-16H2,(H,25,29) | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 by scintillation proximity assay |
Bioorg Med Chem Lett 20: 448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.002
BindingDB Entry DOI: 10.7270/Q2GT5N91 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50513904
(CHEMBL4546114)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CC2C(C1)C(=O)N(Cc1ccccc1)C2=O Show InChI InChI=1S/C29H23FN4O4/c30-24-11-10-18(13-25-19-8-4-5-9-20(19)26(35)32-31-25)12-21(24)27(36)33-15-22-23(16-33)29(38)34(28(22)37)14-17-6-2-1-3-7-17/h1-12,22-23H,13-16H2,(H,32,35) | PDB
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Y. B. Chavan College of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 expressed in Escherichia coli incubated for 15 to 40 mins by ELISA |
Bioorg Med Chem 27: 3979-3997 (2019)
Article DOI: 10.1016/j.bmc.2019.07.050
BindingDB Entry DOI: 10.7270/Q28W3HMG |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50276749
(CHEMBL4161414)Show SMILES Fc1cc(Cc2n[nH]c(=O)c3ccccc23)cc(C(=O)N2CCN(CC2)c2ccccc2)c1F Show InChI InChI=1S/C26H22F2N4O2/c27-22-15-17(16-23-19-8-4-5-9-20(19)25(33)30-29-23)14-21(24(22)28)26(34)32-12-10-31(11-13-32)18-6-2-1-3-7-18/h1-9,14-15H,10-13,16H2,(H,30,33) | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) by ELISA |
Eur J Med Chem 138: 514-531 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.053
BindingDB Entry DOI: 10.7270/Q2HT2RVM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50571291
(CHEMBL4867531)Show SMILES Fc1ccc2nc3CN(CCn3c2c1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F | PDB
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| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PARP1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128169
BindingDB Entry DOI: 10.7270/Q2VD7380 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50586797
(CHEMBL5089136)Show SMILES CC[C@@H]1CN(CCN1CC)C(=O)c1cc(Cn2c3ccccc3c(=O)[nH]c2=O)ccc1F |r| | PDB
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| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human PARP1 using NAD+ as substrate incubated for 1 hr by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01522
BindingDB Entry DOI: 10.7270/Q2KK9GRT |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50084621
(BMN 673 | Talazoparib)Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1 | PDB
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| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114109
BindingDB Entry DOI: 10.7270/Q2XK8KKJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50084621
(BMN 673 | Talazoparib)Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1 | PDB
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| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) after 1 min in presence of NAD by top count analysis |
Eur J Med Chem 165: 198-215 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.024
BindingDB Entry DOI: 10.7270/Q2Z03CPZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50084621
(BMN 673 | Talazoparib)Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1 | PDB
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| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
BioMarin Pharmaceutical Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis |
J Med Chem 59: 335-57 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01498
BindingDB Entry DOI: 10.7270/Q2K35WJR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50084621
(BMN 673 | Talazoparib)Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1 | PDB
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| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
Bioorg Med Chem Lett 26: 4127-32 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.045
BindingDB Entry DOI: 10.7270/Q2DZ0CT9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50594893
(CHEMBL5188771)Show SMILES COc1ccccc1NC(=O)c1ccc(NC(=O)N2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1 | PDB
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| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114109
BindingDB Entry DOI: 10.7270/Q2XK8KKJ |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50602045
(CHEMBL5193674)Show SMILES CCc1cc2ncc(CN3CC4(C3)CN(C4)c3ccc(nc3)C(=O)NC)cc2[nH]c1=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129046
BindingDB Entry DOI: 10.7270/Q2V41095 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | 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
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50084621
(BMN 673 | Talazoparib)Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00135
BindingDB Entry DOI: 10.7270/Q2X06C52 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50084621
(BMN 673 | Talazoparib)Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 58: 3302-14 (2015)
Article DOI: 10.1021/jm5018237
BindingDB Entry DOI: 10.7270/Q27S7QGB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50276750
(CHEMBL4167280)Show SMILES Oc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F Show InChI InChI=1S/C26H22F2N4O3/c27-22-14-16(15-23-19-3-1-2-4-20(19)25(34)30-29-23)13-21(24(22)28)26(35)32-11-9-31(10-12-32)17-5-7-18(33)8-6-17/h1-8,13-14,33H,9-12,15H2,(H,30,34) | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) by ELISA |
Eur J Med Chem 138: 514-531 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.053
BindingDB Entry DOI: 10.7270/Q2HT2RVM |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | 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
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114116
BindingDB Entry DOI: 10.7270/Q2930Z6Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50548674
(CHEMBL4787850)Show SMILES Nc1cccc2c1cc(CCCN1CCN(CC1)c1ccc(cc1)C#N)[nH]c2=O | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of N-terminal GST-tagged human full length PARP1 (2 to 1041 residues) expressed in baculovirus infected Sf9 cells using histone mixture (H... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115819
BindingDB Entry DOI: 10.7270/Q21N84R1 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50548679
(CHEMBL4747106)Show SMILES Nc1cccc2c1cc([nH]c2=O)C1=C[C@@H](CC1)N1CCN(CC1)c1ccc(cc1)C#N |r,t:14| | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of N-terminal GST-tagged human full length PARP1 (2 to 1041 residues) expressed in baculovirus infected Sf9 cells using histone mixture (H... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115819
BindingDB Entry DOI: 10.7270/Q21N84R1 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM636722
((R)—N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(1-(2-...)Show SMILES C[C@](O)(CS(=O)(=O)C1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50548673
(CHEMBL4748390)Show SMILES Nc1cc(F)cc2c1cc(CCCN1CCN(CC1)c1ccc(cc1)C#N)[nH]c2=O | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of N-terminal GST-tagged human full length PARP1 (2 to 1041 residues) expressed in baculovirus infected Sf9 cells using histone mixture (H... |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115819
BindingDB Entry DOI: 10.7270/Q21N84R1 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50595996
(CHEMBL5208255)Show SMILES CCN(CC)Cc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113898
BindingDB Entry DOI: 10.7270/Q27H1PMP |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50602036
(CHEMBL5179448)Show SMILES CCc1cc2ncc(CN3CCN(CC3)c3ccc(C(=O)NC)c4nccn34)cc2[nH]c1=O | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.129046
BindingDB Entry DOI: 10.7270/Q2V41095 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128821
BindingDB Entry DOI: 10.7270/Q22F7SD8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50571286
(CHEMBL4868967)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCC(CC1)c1nc2ccccc2[nH]1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PARP1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128169
BindingDB Entry DOI: 10.7270/Q2VD7380 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50520036
(CHEMBL4437593)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1nc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C35H32FN9O3/c36-28-9-8-22(21-30-23-4-1-2-5-26(23)32(46)42-41-30)20-27(28)33(47)43-12-14-44(15-13-43)34-38-31(25-6-3-7-29-24(25)10-11-37-29)39-35(40-34)45-16-18-48-19-17-45/h1-11,20,37H,12-19,21H2,(H,42,46) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.646 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PARP1 using histone as substrate after 1 hr in presence of biotinylated NAD+ by ELISA |
J Med Chem 63: 122-139 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00622
BindingDB Entry DOI: 10.7270/Q21G0QPD |
More data for this
Ligand-Target Pair | |
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