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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 = 'BDBM325243'   
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))
BDBM325243
PNG
(2-(2-isopropylphenyl)-7- | US10189841, Compound I-...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(CC3CCN(CC3)S(=O)(=O)c3cccnc3)c2n1
Show InChI InChI=1S/C26H30N6O3S/c1-18(2)21-8-4-5-9-22(21)24-28-16-23-25(29-24)32(26(33)30(23)3)17-19-10-13-31(14-11-19)36(34,35)20-7-6-12-27-15-20/h4-9,12,15-16,18-19H,10-11,13-14,17H2,1-3H3
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))
BDBM325243
PNG
(2-(2-isopropylphenyl)-7- | US10189841, Compound I-...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(CC3CCN(CC3)S(=O)(=O)c3cccnc3)c2n1
Show InChI InChI=1S/C26H30N6O3S/c1-18(2)21-8-4-5-9-22(21)24-28-16-23-25(29-24)32(26(33)30(23)3)17-19-10-13-31(14-11-19)36(34,35)20-7-6-12-27-15-20/h4-9,12,15-16,18-19H,10-11,13-14,17H2,1-3H3
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))
BDBM325243
PNG
(2-(2-isopropylphenyl)-7- | US10189841, Compound I-...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(CC3CCN(CC3)S(=O)(=O)c3cccnc3)c2n1
Show InChI InChI=1S/C26H30N6O3S/c1-18(2)21-8-4-5-9-22(21)24-28-16-23-25(29-24)32(26(33)30(23)3)17-19-10-13-31(14-11-19)36(34,35)20-7-6-12-27-15-20/h4-9,12,15-16,18-19H,10-11,13-14,17H2,1-3H3
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