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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 = 'BDBM324902'   
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))
BDBM324902
PNG
(2-(2-isopropylpyridin-3- | US10189841, Compound I-...)
Show SMILES CC(C)c1ncccc1-c1ncc2n(C)c(=O)n(c2n1)C1(CC1)c1ccc(cc1)-c1nc(cn1C)C(F)(F)F
Show InChI InChI=1S/C28H26F3N7O/c1-16(2)22-19(6-5-13-32-22)23-33-14-20-25(35-23)38(26(39)37(20)4)27(11-12-27)18-9-7-17(8-10-18)24-34-21(15-36(24)3)28(29,30)31/h5-10,13-16H,11-12H2,1-4H3
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))
BDBM324902
PNG
(2-(2-isopropylpyridin-3- | US10189841, Compound I-...)
Show SMILES CC(C)c1ncccc1-c1ncc2n(C)c(=O)n(c2n1)C1(CC1)c1ccc(cc1)-c1nc(cn1C)C(F)(F)F
Show InChI InChI=1S/C28H26F3N7O/c1-16(2)22-19(6-5-13-32-22)23-33-14-20-25(35-23)38(26(39)37(20)4)27(11-12-27)18-9-7-17(8-10-18)24-34-21(15-36(24)3)28(29,30)31/h5-10,13-16H,11-12H2,1-4H3
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))
BDBM324902
PNG
(2-(2-isopropylpyridin-3- | US10189841, Compound I-...)
Show SMILES CC(C)c1ncccc1-c1ncc2n(C)c(=O)n(c2n1)C1(CC1)c1ccc(cc1)-c1nc(cn1C)C(F)(F)F
Show InChI InChI=1S/C28H26F3N7O/c1-16(2)22-19(6-5-13-32-22)23-33-14-20-25(35-23)38(26(39)37(20)4)27(11-12-27)18-9-7-17(8-10-18)24-34-21(15-36(24)3)28(29,30)31/h5-10,13-16H,11-12H2,1-4H3
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