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Compile Data Set for Download or QSAR

Found 3 hits of ec50 data for polymerid = 623   
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
ADP-ribose glycohydrolase ARH3


(Homo sapiens (Human))
BDBM371049
PNG
(US10239843, Example 156)
Show SMILES Cc1ncc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C21H24N4O4S2/c1-13-22-10-15(30-13)12-25-19(26)17-9-16(31(28,29)23-21(2)7-8-21)5-6-18(17)24(20(25)27)11-14-3-4-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length C-terminus His-tagged ARH3 expressed in Escherichia coli using Bt-NAD ribosylated PARP1 substrate after 30 mins by TR...


J Med Chem 61: 10767-10792 (2018)

More data for this
Ligand-Target Pair
ADP-ribose glycohydrolase ARH3


(Homo sapiens (Human))
BDBM370916
PNG
(US10239843, Example 23)
Show SMILES Cn1c(=O)n(CC2CC2)c2ccc(cc2c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C17H21N3O4S/c1-17(7-8-17)18-25(23,24)12-5-6-14-13(9-12)15(21)19(2)16(22)20(14)10-11-3-4-11/h5-6,9,11,18H,3-4,7-8,10H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length C-terminus His-tagged ARH3 expressed in Escherichia coli using Bt-NAD ribosylated PARP1 substrate after 30 mins by TR...


J Med Chem 61: 10767-10792 (2018)

More data for this
Ligand-Target Pair
ADP-ribose glycohydrolase ARH3


(Homo sapiens (Human))
BDBM371066
PNG
(US10239843, Example 173)
Show SMILES Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1
Show InChI InChI=1S/C23H27N7O4S/c1-15-9-17(28(4)25-15)14-29-20-6-5-18(35(33,34)26-23(2)7-8-23)10-19(20)21(31)30(22(29)32)13-16-11-24-27(3)12-16/h5-6,9-12,26H,7-8,13-14H2,1-4H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human full length C-terminus His-tagged ARH3 expressed in Escherichia coli using Bt-NAD ribosylated PARP1 substrate after 30 mins by TR...


J Med Chem 61: 10767-10792 (2018)

More data for this
Ligand-Target Pair