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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin carboxyl-terminal hydrolase 1' and Ligand = 'BDBM325236'   
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))
BDBM325236
PNG
(2-(2-isopropylpyridin-3- | US10189841, Compound I-...)
Show SMILES CC(C)c1ncccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)-n3ccc(n3)C3CCN(C)CC3)c2n1
Show InChI InChI=1S/C29H32N8O/c1-19(2)26-23(5-4-13-30-26)27-31-17-25-28(33-27)36(29(38)32-25)18-20-6-8-22(9-7-20)37-16-12-24(34-37)21-10-14-35(3)15-11-21/h4-9,12-13,16-17,19,21H,10-11,14-15,18H2,1-3H3,(H,32,38)
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))
BDBM325236
PNG
(2-(2-isopropylpyridin-3- | US10189841, Compound I-...)
Show SMILES CC(C)c1ncccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)-n3ccc(n3)C3CCN(C)CC3)c2n1
Show InChI InChI=1S/C29H32N8O/c1-19(2)26-23(5-4-13-30-26)27-31-17-25-28(33-27)36(29(38)32-25)18-20-6-8-22(9-7-20)37-16-12-24(34-37)21-10-14-35(3)15-11-21/h4-9,12-13,16-17,19,21H,10-11,14-15,18H2,1-3H3,(H,32,38)
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