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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 = 'BDBM324914'   
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))
BDBM324914
PNG
(2-(2-isopropylpyridin-3- | US10189841, Compound I-...)
Show SMILES COCCn1c2cnc(nc2n(Cc2ccc(cc2)-c2nc(cn2C)C(F)(F)F)c1=O)-c1cccnc1C(C)C
Show InChI InChI=1S/C28H28F3N7O2/c1-17(2)23-20(6-5-11-32-23)24-33-14-21-26(35-24)38(27(39)37(21)12-13-40-4)15-18-7-9-19(10-8-18)25-34-22(16-36(25)3)28(29,30)31/h5-11,14,16-17H,12-13,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/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))
BDBM324914
PNG
(2-(2-isopropylpyridin-3- | US10189841, Compound I-...)
Show SMILES COCCn1c2cnc(nc2n(Cc2ccc(cc2)-c2nc(cn2C)C(F)(F)F)c1=O)-c1cccnc1C(C)C
Show InChI InChI=1S/C28H28F3N7O2/c1-17(2)23-20(6-5-11-32-23)24-33-14-21-26(35-24)38(27(39)37(21)12-13-40-4)15-18-7-9-19(10-8-18)25-34-22(16-36(25)3)28(29,30)31/h5-11,14,16-17H,12-13,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/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))
BDBM324914
PNG
(2-(2-isopropylpyridin-3- | US10189841, Compound I-...)
Show SMILES COCCn1c2cnc(nc2n(Cc2ccc(cc2)-c2nc(cn2C)C(F)(F)F)c1=O)-c1cccnc1C(C)C
Show InChI InChI=1S/C28H28F3N7O2/c1-17(2)23-20(6-5-11-32-23)24-33-14-21-26(35-24)38(27(39)37(21)12-13-40-4)15-18-7-9-19(10-8-18)25-34-22(16-36(25)3)28(29,30)31/h5-11,14,16-17H,12-13,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/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