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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 = 'BDBM443337'   
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)
BDBM443337
PNG
(4-(1-Cyano-2'-oxo-1',4'-dihydro-2'H- spiro[pyrroli...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C22H22N4O2/c1-25(2)20(27)16-5-3-15(4-6-16)17-7-8-19-18(11-17)12-22(21(28)24-19)9-10-26(13-22)14-23/h3-8,11H,9-10,12-13H2,1-2H3,(H,24,28)
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)
BDBM443337
PNG
(4-(1-Cyano-2'-oxo-1',4'-dihydro-2'H- spiro[pyrroli...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C22H22N4O2/c1-25(2)20(27)16-5-3-15(4-6-16)17-7-8-19-18(11-17)12-22(21(28)24-19)9-10-26(13-22)14-23/h3-8,11H,9-10,12-13H2,1-2H3,(H,24,28)
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)
BDBM443337
PNG
(4-(1-Cyano-2'-oxo-1',4'-dihydro-2'H- spiro[pyrroli...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C22H22N4O2/c1-25(2)20(27)16-5-3-15(4-6-16)17-7-8-19-18(11-17)12-22(21(28)24-19)9-10-26(13-22)14-23/h3-8,11H,9-10,12-13H2,1-2H3,(H,24,28)
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