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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 = 'BDBM445171'   
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))
BDBM445171
PNG
((S)-1-cyano-N-(4- (6-cyano-3- methylpyridin-2- yl)...)
Show SMILES CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1nc(ccc1C)C#N
Show InChI InChI=1S/C17H16N6OS/c1-11-5-6-12(8-18)20-15(11)13-9-25-17(21-13)22(2)16(24)14-4-3-7-23(14)10-19/h5-6,9,14H,3-4,7H2,1-2H3/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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))
BDBM445171
PNG
((S)-1-cyano-N-(4- (6-cyano-3- methylpyridin-2- yl)...)
Show SMILES CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1nc(ccc1C)C#N
Show InChI InChI=1S/C17H16N6OS/c1-11-5-6-12(8-18)20-15(11)13-9-25-17(21-13)22(2)16(24)14-4-3-7-23(14)10-19/h5-6,9,14H,3-4,7H2,1-2H3/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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