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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 = 'BDBM325281'   
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))
BDBM325281
PNG
(4-fluoro-N- | US10189841, Compound I-487 | US10399...)
Show SMILES CC(C)NC(=O)N1CCC(F)(Cn2c3nc(ncc3[nH]c2=O)-c2ccccc2C(C)C)CC1
Show InChI InChI=1S/C24H31FN6O2/c1-15(2)17-7-5-6-8-18(17)20-26-13-19-21(29-20)31(23(33)28-19)14-24(25)9-11-30(12-10-24)22(32)27-16(3)4/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,27,32)(H,28,33)
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))
BDBM325281
PNG
(4-fluoro-N- | US10189841, Compound I-487 | US10399...)
Show SMILES CC(C)NC(=O)N1CCC(F)(Cn2c3nc(ncc3[nH]c2=O)-c2ccccc2C(C)C)CC1
Show InChI InChI=1S/C24H31FN6O2/c1-15(2)17-7-5-6-8-18(17)20-26-13-19-21(29-20)31(23(33)28-19)14-24(25)9-11-30(12-10-24)22(32)27-16(3)4/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,27,32)(H,28,33)
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