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SMILES: CC(C)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)-n3nc(cc3C#N)C#N)c2n1

InChI Key: InChIKey=ORLPQVBFEDWLMQ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 324993   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM324993
PNG
(1-(4-((2-(2- | US10189841, Compound I-199 | US1039...)
Show SMILES CC(C)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)-n3nc(cc3C#N)C#N)c2n1
Show InChI InChI=1S/C26H20N8O/c1-16(2)21-5-3-4-6-22(21)24-29-14-23-25(31-24)33(26(35)30-23)15-17-7-9-19(10-8-17)34-20(13-28)11-18(12-27)32-34/h3-11,14,16H,15H2,1-2H3,(H,30,35)
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
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM324993
PNG
(1-(4-((2-(2- | US10189841, Compound I-199 | US1039...)
Show SMILES CC(C)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)-n3nc(cc3C#N)C#N)c2n1
Show InChI InChI=1S/C26H20N8O/c1-16(2)21-5-3-4-6-22(21)24-29-14-23-25(31-24)33(26(35)30-23)15-17-7-9-19(10-8-17)34-20(13-28)11-18(12-27)32-34/h3-11,14,16H,15H2,1-2H3,(H,30,35)
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