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PubMed code 27689388

Compile data set for download or QSAR
Found 5 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) glycohydrolase


(Homo sapiens (Human))
BDBM205479
PNG
(PDD00017273 (4) | US20230278998, Compound PDD00017...)
Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnc(C)s3)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1
Show InChI InChI=1S/C23H26N6O4S2/c1-14-9-16(27(4)25-14)12-28-20-6-5-18(35(32,33)26-23(3)7-8-23)10-19(20)21(30)29(22(28)31)13-17-11-24-15(2)34-17/h5-6,9-11,26H,7-8,12-13H2,1-4H3
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 26n/an/an/an/a7.4n/a



University of Manchester



Assay Description
Briefly, PARG in vitro assays were conducted in a total volume of 15 μL in a standard 384-well format. A total of 5 μL of human full length...


ACS Chem Biol 11: 3179-3190 (2016)


Article DOI: 10.1021/acschembio.6b00609
BindingDB Entry DOI: 10.7270/Q2BP01NJ
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM205480
PNG
(PDD00017238 (5) | US10508086, Example 90 | US10995...)
Show SMILES Cc1nc(C)c(Cn2c3ccc(cc3n(-c3ncns3)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C19H20N6O3S3/c1-11-16(29-12(2)22-11)9-24-14-5-4-13(31(27,28)23-19(3)6-7-19)8-15(14)25(18(24)26)17-20-10-21-30-17/h4-5,8,10,23H,6-7,9H2,1-3H3
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/a7.4n/a



University of Manchester



Assay Description
Briefly, PARG in vitro assays were conducted in a total volume of 15 μL in a standard 384-well format. A total of 5 μL of human full length...


ACS Chem Biol 11: 3179-3190 (2016)


Article DOI: 10.1021/acschembio.6b00609
BindingDB Entry DOI: 10.7270/Q2BP01NJ
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM205482
PNG
(PDD00031705 (7))
Show SMILES CN(C1(C)CC1)S(=O)(=O)c1ccc2n(Cc3sc(C)nc3C)c(=O)n(-c3ncns3)c2c1
Show InChI InChI=1S/C20H22N6O3S3/c1-12-17(30-13(2)23-12)10-25-15-6-5-14(32(28,29)24(4)20(3)7-8-20)9-16(15)26(19(25)27)18-21-11-22-31-18/h5-6,9,11H,7-8,10H2,1-4H3
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UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+4n/an/an/an/a7.4n/a



University of Manchester



Assay Description
Briefly, PARG in vitro assays were conducted in a total volume of 15 μL in a standard 384-well format. A total of 5 μL of human full length...


ACS Chem Biol 11: 3179-3190 (2016)


Article DOI: 10.1021/acschembio.6b00609
BindingDB Entry DOI: 10.7270/Q2BP01NJ
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM205478
PNG
(PDD00013907 (1))
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C18H17NO4S/c1-18(2,3)19-24(22,23)11-8-9-14-15(10-11)17(21)13-7-5-4-6-12(13)16(14)20/h4-10,19H,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a>6.00E+4n/an/an/an/a7.4n/a



University of Manchester



Assay Description
Briefly, PARG in vitro assays were conducted in a total volume of 15 μL in a standard 384-well format. A total of 5 μL of human full length...


ACS Chem Biol 11: 3179-3190 (2016)


Article DOI: 10.1021/acschembio.6b00609
BindingDB Entry DOI: 10.7270/Q2BP01NJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM205481
PNG
(PDD00031704 (6))
Show SMILES CN(C1(C)CC1)S(=O)(=O)c1ccc2n(Cc3cc(C)nn3C)c(=O)n(Cc3cnc(C)s3)c(=O)c2c1
Show InChI InChI=1S/C24H28N6O4S2/c1-15-10-17(27(4)26-15)13-29-21-7-6-19(36(33,34)28(5)24(3)8-9-24)11-20(21)22(31)30(23(29)32)14-18-12-25-16(2)35-18/h6-7,10-12H,8-9,13-14H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+4n/an/an/an/a7.4n/a



University of Manchester



Assay Description
Briefly, PARG in vitro assays were conducted in a total volume of 15 μL in a standard 384-well format. A total of 5 μL of human full length...


ACS Chem Biol 11: 3179-3190 (2016)


Article DOI: 10.1021/acschembio.6b00609
BindingDB Entry DOI: 10.7270/Q2BP01NJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%