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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 = 'BDBM443296'   
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)
BDBM443296
PNG
((S)-7-(3- Fluorophenyl)- 2-oxo-1,2- dihydrospiro [...)
Show SMILES Fc1cccc(c1)-c1cnc2O[C@]3(CCN(C3)C#N)C(=O)Nc2c1 |r|
Show InChI InChI=1S/C17H13FN4O2/c18-13-3-1-2-11(6-13)12-7-14-15(20-8-12)24-17(16(23)21-14)4-5-22(9-17)10-19/h1-3,6-8H,4-5,9H2,(H,21,23)/t17-/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/Q28P63QX
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443296
PNG
((S)-7-(3- Fluorophenyl)- 2-oxo-1,2- dihydrospiro [...)
Show SMILES Fc1cccc(c1)-c1cnc2O[C@]3(CCN(C3)C#N)C(=O)Nc2c1 |r|
Show InChI InChI=1S/C17H13FN4O2/c18-13-3-1-2-11(6-13)12-7-14-15(20-8-12)24-17(16(23)21-14)4-5-22(9-17)10-19/h1-3,6-8H,4-5,9H2,(H,21,23)/t17-/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 US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair