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8 similar compounds to monomer 50145101

Compile data set for download or QSAR
Wt: 339.3
BDBM50145085
Wt: 396.4
BDBM50145089
Wt: 432.4
BDBM50145096
Wt: 438.5
BDBM50145091
Wt: 410.5
BDBM50145092
Wt: 414.4
BDBM50145094
Wt: 451.5
BDBM50145097
Wt: 440.5
BDBM50145100

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50145085,50145089,50145096,50145091,50145092,50145094,50145097,50145100   
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))
BDBM50145085
PNG
(CHEMBL3763589)
Show SMILES O=c1[nH]nc2C(C(Nc3cccc1c23)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17N3O/c26-22-16-12-7-13-17-19(16)21(24-25-22)18(14-8-3-1-4-9-14)20(23-17)15-10-5-2-6-11-15/h1-13,18,20,23H,(H,25,26)
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B.MOAD
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Article
PubMed
n/an/a 6.10n/an/an/an/an/an/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145100
PNG
(CHEMBL3765318)
Show SMILES Fc1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C27H25FN4O/c28-20-12-10-18(11-13-20)23-25(19-8-6-17(7-9-19)16-32-14-1-2-15-32)29-22-5-3-4-21-24(22)26(23)30-31-27(21)33/h3-13,23,25,29H,1-2,14-16H2,(H,31,33)
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n/an/an/an/a 23n/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay


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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145091
PNG
(CHEMBL3763164)
Show SMILES CC(C)c1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C28H30N4O/c1-17(2)19-12-14-20(15-13-19)24-26(21-10-8-18(9-11-21)16-32(3)4)29-23-7-5-6-22-25(23)27(24)30-31-28(22)33/h5-15,17,24,26,29H,16H2,1-4H3,(H,31,33)
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n/an/a 9.60n/an/an/an/an/an/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145092
PNG
(CHEMBL3763531)
Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cccc3c2c(n[nH]c3=O)C1c1ccc(C)cc1
Show InChI InChI=1S/C26H26N4O/c1-16-7-11-18(12-8-16)22-24(19-13-9-17(10-14-19)15-30(2)3)27-21-6-4-5-20-23(21)25(22)28-29-26(20)31/h4-14,22,24,27H,15H2,1-3H3,(H,29,31)
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n/an/a 2n/an/an/an/an/an/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145094
PNG
(CHEMBL3764422)
Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cccc3c2c(n[nH]c3=O)C1c1ccc(F)cc1
Show InChI InChI=1S/C25H23FN4O/c1-30(2)14-15-6-8-17(9-7-15)23-21(16-10-12-18(26)13-11-16)24-22-19(25(31)29-28-24)4-3-5-20(22)27-23/h3-13,21,23,27H,14H2,1-2H3,(H,29,31)
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n/an/a 2.5n/an/an/an/an/an/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145096
PNG
(CHEMBL3765611)
Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cc(F)cc3c2c(n[nH]c3=O)C1c1ccc(F)cc1
Show InChI InChI=1S/C25H22F2N4O/c1-31(2)13-14-3-5-16(6-4-14)23-21(15-7-9-17(26)10-8-15)24-22-19(25(32)30-29-24)11-18(27)12-20(22)28-23/h3-12,21,23,28H,13H2,1-2H3,(H,30,32)
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n/an/a 2.60n/an/an/an/an/an/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145097
PNG
(CHEMBL3764829)
Show SMILES CN1CCN(Cc2ccc(cc2)C2Nc3cccc4c3c(n[nH]c4=O)C2c2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O/c1-32-14-16-33(17-15-32)18-19-10-12-21(13-11-19)26-24(20-6-3-2-4-7-20)27-25-22(28(34)31-30-27)8-5-9-23(25)29-26/h2-13,24,26,29H,14-18H2,1H3,(H,31,34)
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n/an/a 2n/an/an/an/an/an/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145100
PNG
(CHEMBL3765318)
Show SMILES Fc1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C27H25FN4O/c28-20-12-10-18(11-13-20)23-25(19-8-6-17(7-9-19)16-32-14-1-2-15-32)29-22-5-3-4-21-24(22)26(23)30-31-27(21)33/h3-13,23,25,29H,1-2,14-16H2,(H,31,33)
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PubMed
n/an/a 2n/an/an/an/an/an/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145085
PNG
(CHEMBL3763589)
Show SMILES O=c1[nH]nc2C(C(Nc3cccc1c23)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17N3O/c26-22-16-12-7-13-17-19(16)21(24-25-22)18(14-8-3-1-4-9-14)20(23-17)15-10-5-2-6-11-15/h1-13,18,20,23H,(H,25,26)
PDB
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Article
PubMed
n/an/an/an/a 58n/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay


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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145091
PNG
(CHEMBL3763164)
Show SMILES CC(C)c1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C28H30N4O/c1-17(2)19-12-14-20(15-13-19)24-26(21-10-8-18(9-11-21)16-32(3)4)29-23-7-5-6-22-25(23)27(24)30-31-28(22)33/h5-15,17,24,26,29H,16H2,1-4H3,(H,31,33)
PDB
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Article
PubMed
n/an/an/an/a 15n/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay


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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145092
PNG
(CHEMBL3763531)
Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cccc3c2c(n[nH]c3=O)C1c1ccc(C)cc1
Show InChI InChI=1S/C26H26N4O/c1-16-7-11-18(12-8-16)22-24(19-13-9-17(10-14-19)15-30(2)3)27-21-6-4-5-20-23(21)25(22)28-29-26(20)31/h4-14,22,24,27H,15H2,1-3H3,(H,29,31)
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n/an/an/an/a 11n/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay


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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145094
PNG
(CHEMBL3764422)
Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cccc3c2c(n[nH]c3=O)C1c1ccc(F)cc1
Show InChI InChI=1S/C25H23FN4O/c1-30(2)14-15-6-8-17(9-7-15)23-21(16-10-12-18(26)13-11-16)24-22-19(25(31)29-28-24)4-3-5-20(22)27-23/h3-13,21,23,27H,14H2,1-2H3,(H,29,31)
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n/an/an/an/a 19n/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay


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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145096
PNG
(CHEMBL3765611)
Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cc(F)cc3c2c(n[nH]c3=O)C1c1ccc(F)cc1
Show InChI InChI=1S/C25H22F2N4O/c1-31(2)13-14-3-5-16(6-4-14)23-21(15-7-9-17(26)10-8-15)24-22-19(25(32)30-29-24)11-18(27)12-20(22)28-23/h3-12,21,23,28H,13H2,1-2H3,(H,30,32)
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n/an/an/an/a 6.10n/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay


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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145097
PNG
(CHEMBL3764829)
Show SMILES CN1CCN(Cc2ccc(cc2)C2Nc3cccc4c3c(n[nH]c4=O)C2c2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O/c1-32-14-16-33(17-15-32)18-19-10-12-21(13-11-19)26-24(20-6-3-2-4-7-20)27-25-22(28(34)31-30-27)8-5-9-23(25)29-26/h2-13,24,26,29H,14-18H2,1H3,(H,31,34)
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PubMed
n/an/an/an/a 41n/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay


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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145089
PNG
(CHEMBL3764190)
Show SMILES CN(C)Cc1cccc(c1)C1Nc2cccc3c2c(n[nH]c3=O)C1c1ccccc1
Show InChI InChI=1S/C25H24N4O/c1-29(2)15-16-8-6-11-18(14-16)23-21(17-9-4-3-5-10-17)24-22-19(25(30)28-27-24)12-7-13-20(22)26-23/h3-14,21,23,26H,15H2,1-2H3,(H,28,30)
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n/an/a 2.60n/an/an/an/an/an/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