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PubMed code 23522835

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50433097
PNG
(CHEMBL2377258)
Show SMILES Fc1ccc(cc1)N1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C21H23FN4O/c22-16-7-9-17(10-8-16)26-14-12-25(13-15-26)11-3-6-20-23-19-5-2-1-4-18(19)21(27)24-20/h1-2,4-5,7-10H,3,6,11-15H2,(H,23,24,27)
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n/an/a 77n/an/an/an/an/an/a



Sungkyunkwan [corrected] University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 15 mins by fluorometric analysis

Bioorg Med Chem Lett 23: 2642-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.094
BindingDB Entry DOI: 10.7270/Q2WH2RCN
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50220856
PNG
(2-(3-(4-phenylpiperidin-1-yl)propyl)quinazolin-4(3...)
Show SMILES O=c1[nH]c(CCCN2CCC(CC2)c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C22H25N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16H2,(H,23,24,26)
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n/an/a 79n/an/an/an/an/an/a



Sungkyunkwan [corrected] University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 15 mins by fluorometric analysis

Bioorg Med Chem Lett 23: 2642-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.094
BindingDB Entry DOI: 10.7270/Q2WH2RCN
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50433098
PNG
(CHEMBL2377257)
Show SMILES COc1ccccc1N1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C22H26N4O2/c1-28-20-10-5-4-9-19(20)26-15-13-25(14-16-26)12-6-11-21-23-18-8-3-2-7-17(18)22(27)24-21/h2-5,7-10H,6,11-16H2,1H3,(H,23,24,27)
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n/an/a 189n/an/an/an/an/an/a



Sungkyunkwan [corrected] University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 15 mins by fluorometric analysis

Bioorg Med Chem Lett 23: 2642-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.094
BindingDB Entry DOI: 10.7270/Q2WH2RCN
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50220864
PNG
(2-(3-(4-(4-fluorophenyl)-5,6-dihydropyridin-1(2H)-...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8|
Show InChI InChI=1S/C22H22FN3O/c23-18-9-7-16(8-10-18)17-11-14-26(15-12-17)13-3-6-21-24-20-5-2-1-4-19(20)22(27)25-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,25,27)
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n/an/a 304n/an/an/an/an/an/a



Sungkyunkwan [corrected] University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 15 mins by fluorometric analysis

Bioorg Med Chem Lett 23: 2642-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.094
BindingDB Entry DOI: 10.7270/Q2WH2RCN
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50433095
PNG
(CHEMBL2377260)
Show SMILES Clc1ccc(cc1)C1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C22H24ClN3O/c23-18-9-7-16(8-10-18)17-11-14-26(15-12-17)13-3-6-21-24-20-5-2-1-4-19(20)22(27)25-21/h1-2,4-5,7-10,17H,3,6,11-15H2,(H,24,25,27)
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n/an/a 388n/an/an/an/an/an/a



Sungkyunkwan [corrected] University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 15 mins by fluorometric analysis

Bioorg Med Chem Lett 23: 2642-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.094
BindingDB Entry DOI: 10.7270/Q2WH2RCN
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50433096
PNG
(CHEMBL2377259)
Show SMILES Clc1cccc(c1)N1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C21H23ClN4O/c22-16-5-3-6-17(15-16)26-13-11-25(12-14-26)10-4-9-20-23-19-8-2-1-7-18(19)21(27)24-20/h1-3,5-8,15H,4,9-14H2,(H,23,24,27)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Sungkyunkwan [corrected] University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 15 mins by fluorometric analysis

Bioorg Med Chem Lett 23: 2642-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.094
BindingDB Entry DOI: 10.7270/Q2WH2RCN
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50433099
PNG
(CHEMBL2377256)
Show SMILES CCCCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C12H14N2O/c1-2-3-8-11-13-10-7-5-4-6-9(10)12(15)14-11/h4-7H,2-3,8H2,1H3,(H,13,14,15)
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n/an/a 8.89E+3n/an/an/an/an/an/a



Sungkyunkwan [corrected] University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 15 mins by fluorometric analysis

Bioorg Med Chem Lett 23: 2642-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.094
BindingDB Entry DOI: 10.7270/Q2WH2RCN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%