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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 = 'BDBM325142'   
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))
BDBM325142
PNG
(9-(4-(4-(3-aminopentan-3-yl)-1H-1,2,3-triazol-1- |...)
Show SMILES CCC(N)(CC)c1cn(nn1)-c1ccc(Cn2c3nc(ncc3[nH]c2=O)-c2ccccc2C(C)C)cc1
Show InChI InChI=1S/C28H32N8O/c1-5-28(29,6-2)24-17-36(34-33-24)20-13-11-19(12-14-20)16-35-26-23(31-27(35)37)15-30-25(32-26)22-10-8-7-9-21(22)18(3)4/h7-15,17-18H,5-6,16,29H2,1-4H3,(H,31,37)
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))
BDBM325142
PNG
(9-(4-(4-(3-aminopentan-3-yl)-1H-1,2,3-triazol-1- |...)
Show SMILES CCC(N)(CC)c1cn(nn1)-c1ccc(Cn2c3nc(ncc3[nH]c2=O)-c2ccccc2C(C)C)cc1
Show InChI InChI=1S/C28H32N8O/c1-5-28(29,6-2)24-17-36(34-33-24)20-13-11-19(12-14-20)16-35-26-23(31-27(35)37)15-30-25(32-26)22-10-8-7-9-21(22)18(3)4/h7-15,17-18H,5-6,16,29H2,1-4H3,(H,31,37)
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