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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin carboxyl-terminal hydrolase 30' and Ligand = 'BDBM445197'   
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
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM445197
PNG
((S)-1-cyano-N-methyl-N-(4-(3-(N-methylmethylsulfon...)
Show SMILES CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1cccc(c1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H30N4O5S2/c1-22(2,3)31-21(28)26-12-8-11-18(26)19(27)24(4)20-23-17(14-32-20)15-9-7-10-16(13-15)25(5)33(6,29)30/h7,9-10,13-14,18H,8,11-12H2,1-6H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM445197
PNG
((S)-1-cyano-N-methyl-N-(4-(3-(N-methylmethylsulfon...)
Show SMILES CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1cccc(c1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H30N4O5S2/c1-22(2,3)31-21(28)26-12-8-11-18(26)19(27)24(4)20-23-17(14-32-20)15-9-7-10-16(13-15)25(5)33(6,29)30/h7,9-10,13-14,18H,8,11-12H2,1-6H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair