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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ADP-ribosylhydrolase ARH3' and Ligand = 'BDBM421493'   
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
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421493
PNG
(US10508086, Example 83 | US10995073, Example 83)
Show SMILES Cc1ncc(Cn2c3ccc(cc3n(-c3nnc(C)s3)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C19H20N6O3S3/c1-11-20-9-13(29-11)10-24-15-5-4-14(31(27,28)23-19(3)6-7-19)8-16(15)25(18(24)26)17-22-21-12(2)30-17/h4-5,8-9,23H,6-7,10H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10995073 (2021)


BindingDB Entry DOI: 10.7270/Q28K7D68
More data for this
Ligand-Target Pair
ADP-ribosylhydrolase ARH3


(Homo sapiens (Human))
BDBM421493
PNG
(US10508086, Example 83 | US10995073, Example 83)
Show SMILES Cc1ncc(Cn2c3ccc(cc3n(-c3nnc(C)s3)c2=O)S(=O)(=O)NC2(C)CC2)s1
Show InChI InChI=1S/C19H20N6O3S3/c1-11-20-9-13(29-11)10-24-15-5-4-14(31(27,28)23-19(3)6-7-19)8-16(15)25(18(24)26)17-22-21-12(2)30-17/h4-5,8-9,23H,6-7,10H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life S...


US Patent US10508086 (2019)


BindingDB Entry DOI: 10.7270/Q26112QF
More data for this
Ligand-Target Pair