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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'OTU domain-containing protein 7B' and Ligand = 'BDBM443342'   
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
OTU domain-containing protein 7B


(Human)
BDBM443342
PNG
(6'-(1-Methyl-1H-pyrrol-2-yl)-2'-oxo- 1',4'-dihydro...)
Show SMILES Cn1cccc1-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C18H18N4O/c1-21-7-2-3-16(21)13-4-5-15-14(9-13)10-18(17(23)20-15)6-8-22(11-18)12-19/h2-5,7,9H,6,8,10-11H2,1H3,(H,20,23)
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 US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443342
PNG
(6'-(1-Methyl-1H-pyrrol-2-yl)-2'-oxo- 1',4'-dihydro...)
Show SMILES Cn1cccc1-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C18H18N4O/c1-21-7-2-3-16(21)13-4-5-15-14(9-13)10-18(17(23)20-15)6-8-22(11-18)12-19/h2-5,7,9H,6,8,10-11H2,1H3,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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/Q28P63QX
More data for this
Ligand-Target Pair