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BDBM325272 N-isopropyl-4-((2-::US10189841, Compound I-478::US10399980, Compound I-478

SMILES: CC(C)NC(=O)N1CCC(Cn2c3nc(ncc3n(C)c2=O)-c2ccccc2C(C)C)CC1

InChI Key: InChIKey=XMFJBFJFTBSZQO-UHFFFAOYSA-N

Data: 2 IC50

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 = 325272   
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))
BDBM325272
PNG
(N-isopropyl-4-((2- | US10189841, Compound I-478 | ...)
Show SMILES CC(C)NC(=O)N1CCC(Cn2c3nc(ncc3n(C)c2=O)-c2ccccc2C(C)C)CC1
Show InChI InChI=1S/C25H34N6O2/c1-16(2)19-8-6-7-9-20(19)22-26-14-21-23(28-22)31(25(33)29(21)5)15-18-10-12-30(13-11-18)24(32)27-17(3)4/h6-9,14,16-18H,10-13,15H2,1-5H3,(H,27,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+3n/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))
BDBM325272
PNG
(N-isopropyl-4-((2- | US10189841, Compound I-478 | ...)
Show SMILES CC(C)NC(=O)N1CCC(Cn2c3nc(ncc3n(C)c2=O)-c2ccccc2C(C)C)CC1
Show InChI InChI=1S/C25H34N6O2/c1-16(2)19-8-6-7-9-20(19)22-26-14-21-23(28-22)31(25(33)29(21)5)15-18-10-12-30(13-11-18)24(32)27-17(3)4/h6-9,14,16-18H,10-13,15H2,1-5H3,(H,27,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.00200n/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