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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin carboxyl-terminal hydrolase 1' and Ligand = 'BDBM325256'   
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 1


(Homo sapiens (Human))
BDBM325256
PNG
(9-((1- | US10189841, Compound I-462 | US10399980, ...)
Show SMILES CC(C)C(=O)N1CCC(Cn2c3nc(ncc3n(C)c2=O)-c2ccccc2C(C)C)CC1
Show InChI InChI=1S/C25H33N5O2/c1-16(2)19-8-6-7-9-20(19)22-26-14-21-23(27-22)30(25(32)28(21)5)15-18-10-12-29(13-11-18)24(31)17(3)4/h6-9,14,16-18H,10-13,15H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.00200n/an/an/an/an/an/a



FORMA Therapeutics, Inc.

US Patent


Assay Description
The HTS assay was performed in a final volume of 20 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning...


US Patent US10189841 (2019)


BindingDB Entry DOI: 10.7270/Q22R3TRR
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM325256
PNG
(9-((1- | US10189841, Compound I-462 | US10399980, ...)
Show SMILES CC(C)C(=O)N1CCC(Cn2c3nc(ncc3n(C)c2=O)-c2ccccc2C(C)C)CC1
Show InChI InChI=1S/C25H33N5O2/c1-16(2)19-8-6-7-9-20(19)22-26-14-21-23(27-22)30(25(32)28(21)5)15-18-10-12-29(13-11-18)24(31)17(3)4/h6-9,14,16-18H,10-13,15H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
The HTS assay was performed in a final volume of 20 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8QWM
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM325256
PNG
(9-((1- | US10189841, Compound I-462 | US10399980, ...)
Show SMILES CC(C)C(=O)N1CCC(Cn2c3nc(ncc3n(C)c2=O)-c2ccccc2C(C)C)CC1
Show InChI InChI=1S/C25H33N5O2/c1-16(2)19-8-6-7-9-20(19)22-26-14-21-23(27-22)30(25(32)28(21)5)15-18-10-12-29(13-11-18)24(31)17(3)4/h6-9,14,16-18H,10-13,15H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+3n/an/an/an/an/an/a



FORMA Therapeutics, Inc.

US Patent


Assay Description
The HTS assay was performed in a final volume of 20 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning...


US Patent US10399980 (2019)


BindingDB Entry DOI: 10.7270/Q23J3GCX
More data for this
Ligand-Target Pair