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SMILES: CC(C)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)-n3ccc(n3)N3CCOCC3)c2n1

InChI Key: InChIKey=RTLHFMMTPSJNRX-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 = 324968   
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))
BDBM324968
PNG
(2-(2-isopropylphenyl)-9-(4- | US10189841, Compound...)
Show SMILES CC(C)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)-n3ccc(n3)N3CCOCC3)c2n1
Show InChI InChI=1S/C28H29N7O2/c1-19(2)22-5-3-4-6-23(22)26-29-17-24-27(31-26)34(28(36)30-24)18-20-7-9-21(10-8-20)35-12-11-25(32-35)33-13-15-37-16-14-33/h3-12,17,19H,13-16,18H2,1-2H3,(H,30,36)
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))
BDBM324968
PNG
(2-(2-isopropylphenyl)-9-(4- | US10189841, Compound...)
Show SMILES CC(C)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(cc3)-n3ccc(n3)N3CCOCC3)c2n1
Show InChI InChI=1S/C28H29N7O2/c1-19(2)22-5-3-4-6-23(22)26-29-17-24-27(31-26)34(28(36)30-24)18-20-7-9-21(10-8-20)35-12-11-25(32-35)33-13-15-37-16-14-33/h3-12,17,19H,13-16,18H2,1-2H3,(H,30,36)
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