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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'OTU domain-containing protein 7B' and Ligand = 'BDBM443347'   
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)
BDBM443347
PNG
(6'-(4-(Morpholine-4-carbonyl)phenyl)- 2'-oxo-1',4'...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C24H24N4O3/c25-16-27-8-7-24(15-27)14-20-13-19(5-6-21(20)26-23(24)30)17-1-3-18(4-2-17)22(29)28-9-11-31-12-10-28/h1-6,13H,7-12,14-15H2,(H,26,30)
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)
BDBM443347
PNG
(6'-(4-(Morpholine-4-carbonyl)phenyl)- 2'-oxo-1',4'...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C24H24N4O3/c25-16-27-8-7-24(15-27)14-20-13-19(5-6-21(20)26-23(24)30)17-1-3-18(4-2-17)22(29)28-9-11-31-12-10-28/h1-6,13H,7-12,14-15H2,(H,26,30)
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/Q28P63QX
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443347
PNG
(6'-(4-(Morpholine-4-carbonyl)phenyl)- 2'-oxo-1',4'...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C24H24N4O3/c25-16-27-8-7-24(15-27)14-20-13-19(5-6-21(20)26-23(24)30)17-1-3-18(4-2-17)22(29)28-9-11-31-12-10-28/h1-6,13H,7-12,14-15H2,(H,26,30)
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