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11 similar compounds to monomer 50122772

Compile data set for download or QSAR
Wt: 331.2
BDBM50122773
Wt: 297.7
BDBM50122774
Wt: 293.3
BDBM50122775
Wt: 320.3
BDBM50122776
Purchase
Wt: 263.2
BDBM50122777
Wt: 201.2
BDBM50122778
Wt: 297.7
BDBM50122779
Wt: 293.3
BDBM50122780
Wt: 313.3
BDBM50122781
Wt: 277.3
BDBM50255792
Wt: 389.4
BDBM50255793

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50122773,50122774,50122775,50122776,50122777,50122778,50122779,50122780,50122781,50255792,50255793   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122777
PNG
(1-Phenyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azu...)
Show SMILES O=C1NCCn2c(nc3cccc1c23)-c1ccccc1
Show InChI InChI=1S/C16H13N3O/c20-16-12-7-4-8-13-14(12)19(10-9-17-16)15(18-13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)
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PubMed
4.10n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122775
PNG
(1-(4-Hydroxymethyl-phenyl)-8,9-dihydro-7H-2,7,9a-t...)
Show SMILES OCc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H15N3O2/c21-10-11-4-6-12(7-5-11)16-19-14-3-1-2-13-15(14)20(16)9-8-18-17(13)22/h1-7,21H,8-10H2,(H,18,22)
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4.20n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122781
PNG
(1-Naphthalen-1-yl-8,9-dihydro-7H-2,7,9a-triaza-ben...)
Show SMILES O=C1NCCn2c(nc3cccc1c23)-c1cccc2ccccc12
Show InChI InChI=1S/C20H15N3O/c24-20-16-9-4-10-17-18(16)23(12-11-21-20)19(22-17)15-8-3-6-13-5-1-2-7-14(13)15/h1-10H,11-12H2,(H,21,24)
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4.90n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122779
PNG
(1-(4-Chloro-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-b...)
Show SMILES Clc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C16H12ClN3O/c17-11-6-4-10(5-7-11)15-19-13-3-1-2-12-14(13)20(15)9-8-18-16(12)21/h1-7H,8-9H2,(H,18,21)
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5.70n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122776
PNG
(1-(4-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...)
Show SMILES CN(C)Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)
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5.80n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122774
PNG
(1-(2-Chloro-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-b...)
Show SMILES Clc1ccccc1-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C16H12ClN3O/c17-12-6-2-1-4-10(12)15-19-13-7-3-5-11-14(13)20(15)9-8-18-16(11)21/h1-7H,8-9H2,(H,18,21)
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7.70n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122780
PNG
(1-(3-Hydroxymethyl-phenyl)-8,9-dihydro-7H-2,7,9a-t...)
Show SMILES OCc1cccc(c1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H15N3O2/c21-10-11-3-1-4-12(9-11)16-19-14-6-2-5-13-15(14)20(16)8-7-18-17(13)22/h1-6,9,21H,7-8,10H2,(H,18,22)
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8.80n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122773
PNG
(1-(3-Trifluoromethyl-phenyl)-8,9-dihydro-7H-2,7,9a...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H12F3N3O/c18-17(19,20)11-4-1-3-10(9-11)15-22-13-6-2-5-12-14(13)23(15)8-7-21-16(12)24/h1-6,9H,7-8H2,(H,21,24)
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11.2n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122778
PNG
(1-Methyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azu...)
Show SMILES Cc1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C11H11N3O/c1-7-13-9-4-2-3-8-10(9)14(7)6-5-12-11(8)15/h2-4H,5-6H2,1H3,(H,12,15)
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45n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50122776
PNG
(1-(4-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...)
Show SMILES CN(C)Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)
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PCBioAssay
n/an/an/an/a 2.75E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50255793
PNG
(1-[3-(4-Methyl-piperazine-1-carbonyl)-phenyl]-8,9-...)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C22H23N5O2/c1-25-10-12-26(13-11-25)22(29)16-5-2-4-15(14-16)20-24-18-7-3-6-17-19(18)27(20)9-8-23-21(17)28/h2-7,14H,8-13H2,1H3,(H,23,28)
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n/an/a 161n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PARP1


J Med Chem 52: 718-25 (2009)


Article DOI: 10.1021/jm800902t
BindingDB Entry DOI: 10.7270/Q2C53KPW
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50255792
PNG
(1-p-Tolyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]az...)
Show SMILES Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H15N3O/c1-11-5-7-12(8-6-11)16-19-14-4-2-3-13-15(14)20(16)10-9-18-17(13)21/h2-8H,9-10H2,1H3,(H,18,21)
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n/an/a 111n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PARP1


J Med Chem 52: 718-25 (2009)


Article DOI: 10.1021/jm800902t
BindingDB Entry DOI: 10.7270/Q2C53KPW
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122778
PNG
(1-Methyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azu...)
Show SMILES Cc1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C11H11N3O/c1-7-13-9-4-2-3-8-10(9)14(7)6-5-12-11(8)15/h2-4H,5-6H2,1H3,(H,12,15)
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n/an/a 141n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PARP1


J Med Chem 52: 718-25 (2009)


Article DOI: 10.1021/jm800902t
BindingDB Entry DOI: 10.7270/Q2C53KPW
More data for this
Ligand-Target Pair