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PubMed code 23672613

Compile data set for download or QSAR
Found 8 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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 46n/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin)


J Med Chem 56: 4497-508 (2013)


Article DOI: 10.1021/jm400211f
BindingDB Entry DOI: 10.7270/Q23R0V82
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 120n/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


J Med Chem 56: 4497-508 (2013)


Article DOI: 10.1021/jm400211f
BindingDB Entry DOI: 10.7270/Q23R0V82
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50434127
PNG
(CHEMBL2381633)
Show SMILES Cc1cc(=O)[nH]c2cc(ccc12)-c1ccccc1F
Show InChI InChI=1S/C16H12FNO/c1-10-8-16(19)18-15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


J Med Chem 56: 4497-508 (2013)


Article DOI: 10.1021/jm400211f
BindingDB Entry DOI: 10.7270/Q23R0V82
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50434127
PNG
(CHEMBL2381633)
Show SMILES Cc1cc(=O)[nH]c2cc(ccc12)-c1ccccc1F
Show InChI InChI=1S/C16H12FNO/c1-10-8-16(19)18-15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of PARP3 (unknown origin)


J Med Chem 56: 4497-508 (2013)


Article DOI: 10.1021/jm400211f
BindingDB Entry DOI: 10.7270/Q23R0V82
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50434127
PNG
(CHEMBL2381633)
Show SMILES Cc1cc(=O)[nH]c2cc(ccc12)-c1ccccc1F
Show InChI InChI=1S/C16H12FNO/c1-10-8-16(19)18-15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin)


J Med Chem 56: 4497-508 (2013)


Article DOI: 10.1021/jm400211f
BindingDB Entry DOI: 10.7270/Q23R0V82
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 6


(Homo sapiens)
BDBM50434127
PNG
(CHEMBL2381633)
Show SMILES Cc1cc(=O)[nH]c2cc(ccc12)-c1ccccc1F
Show InChI InChI=1S/C16H12FNO/c1-10-8-16(19)18-15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of PARP6 (unknown origin)


J Med Chem 56: 4497-508 (2013)


Article DOI: 10.1021/jm400211f
BindingDB Entry DOI: 10.7270/Q23R0V82
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 6


(Homo sapiens)
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of PARP6 (unknown origin)


J Med Chem 56: 4497-508 (2013)


Article DOI: 10.1021/jm400211f
BindingDB Entry DOI: 10.7270/Q23R0V82
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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CHEMBL
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PC cid
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UniChem
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of PARP3 (unknown origin)


J Med Chem 56: 4497-508 (2013)


Article DOI: 10.1021/jm400211f
BindingDB Entry DOI: 10.7270/Q23R0V82
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%