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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 = 'BDBM421482'   
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))
BDBM421482
PNG
(US10508086, Example 73 | US10995073, Example 73)
Show SMILES Cc1nnc(s1)-n1c2cc(ccc2n(Cc2ccc(F)cc2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C21H20FN5O3S2/c1-13-23-24-19(31-13)27-18-11-16(32(29,30)25-21(2)9-10-21)7-8-17(18)26(20(27)28)12-14-3-5-15(22)6-4-14/h3-8,11,25H,9-10,12H2,1-2H3
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))
BDBM421482
PNG
(US10508086, Example 73 | US10995073, Example 73)
Show SMILES Cc1nnc(s1)-n1c2cc(ccc2n(Cc2ccc(F)cc2)c1=O)S(=O)(=O)NC1(C)CC1
Show InChI InChI=1S/C21H20FN5O3S2/c1-13-23-24-19(31-13)27-18-11-16(32(29,30)25-21(2)9-10-21)7-8-17(18)26(20(27)28)12-14-3-5-15(22)6-4-14/h3-8,11,25H,9-10,12H2,1-2H3
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