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SMILES: CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3ccc(cc3)-c3nc(cn3CCO)C(F)(F)F)c2n1

InChI Key: InChIKey=NTIJHMYSIAIOEK-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 3 hits for monomerid = 324900   
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))
BDBM324900
PNG
(9-(4-(1-(2- | US10189841, Compound I-106 | US10399...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3ccc(cc3)-c3nc(cn3CCO)C(F)(F)F)c2n1
Show InChI InChI=1S/C28H27F3N6O2/c1-17(2)20-6-4-5-7-21(20)24-32-14-22-26(34-24)37(27(39)35(22)3)15-18-8-10-19(11-9-18)25-33-23(28(29,30)31)16-36(25)12-13-38/h4-11,14,16-17,38H,12-13,15H2,1-3H3
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))
BDBM324900
PNG
(9-(4-(1-(2- | US10189841, Compound I-106 | US10399...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3ccc(cc3)-c3nc(cn3CCO)C(F)(F)F)c2n1
Show InChI InChI=1S/C28H27F3N6O2/c1-17(2)20-6-4-5-7-21(20)24-32-14-22-26(34-24)37(27(39)35(22)3)15-18-8-10-19(11-9-18)25-33-23(28(29,30)31)16-36(25)12-13-38/h4-11,14,16-17,38H,12-13,15H2,1-3H3
PDB

UniProtKB/SwissProt

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


TBA



Citation and Details
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM324900
PNG
(9-(4-(1-(2- | US10189841, Compound I-106 | US10399...)
Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3ccc(cc3)-c3nc(cn3CCO)C(F)(F)F)c2n1
Show InChI InChI=1S/C28H27F3N6O2/c1-17(2)20-6-4-5-7-21(20)24-32-14-22-26(34-24)37(27(39)35(22)3)15-18-8-10-19(11-9-18)25-33-23(28(29,30)31)16-36(25)12-13-38/h4-11,14,16-17,38H,12-13,15H2,1-3H3
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