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SMILES: Cn1cc(nc1-c1ccc(Cn2c3nc(ncc3n(C3CC3)c2=O)-c2cccnc2C2CC2)cc1)C(F)(F)F

InChI Key: InChIKey=VPBDSNFXCOKMSI-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 = 324895   
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))
BDBM324895
PNG
(7-cyclopropyl-2-(2- | US10189841, Compound I-101 |...)
Show SMILES Cn1cc(nc1-c1ccc(Cn2c3nc(ncc3n(C3CC3)c2=O)-c2cccnc2C2CC2)cc1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N7O/c1-36-15-22(28(29,30)31)34-25(36)18-6-4-16(5-7-18)14-37-26-21(38(27(37)39)19-10-11-19)13-33-24(35-26)20-3-2-12-32-23(20)17-8-9-17/h2-7,12-13,15,17,19H,8-11,14H2,1H3
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))
BDBM324895
PNG
(7-cyclopropyl-2-(2- | US10189841, Compound I-101 |...)
Show SMILES Cn1cc(nc1-c1ccc(Cn2c3nc(ncc3n(C3CC3)c2=O)-c2cccnc2C2CC2)cc1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N7O/c1-36-15-22(28(29,30)31)34-25(36)18-6-4-16(5-7-18)14-37-26-21(38(27(37)39)19-10-11-19)13-33-24(35-26)20-3-2-12-32-23(20)17-8-9-17/h2-7,12-13,15,17,19H,8-11,14H2,1H3
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))
BDBM324895
PNG
(7-cyclopropyl-2-(2- | US10189841, Compound I-101 |...)
Show SMILES Cn1cc(nc1-c1ccc(Cn2c3nc(ncc3n(C3CC3)c2=O)-c2cccnc2C2CC2)cc1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N7O/c1-36-15-22(28(29,30)31)34-25(36)18-6-4-16(5-7-18)14-37-26-21(38(27(37)39)19-10-11-19)13-33-24(35-26)20-3-2-12-32-23(20)17-8-9-17/h2-7,12-13,15,17,19H,8-11,14H2,1H3
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