BindingDB logo
myBDB logout

BDBM324931 2-(2-::US10189841, Compound I-137::US10399980, Compound I-137

SMILES: Cn1cc(nc1-c1ccc(Cn2c3nc(ncc3n(C)c2=O)-c2cccnc2OC2CC2)cc1)C(F)(F)F

InChI Key: InChIKey=FAQZABJIPIGKQK-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 = 324931   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens (Human))
BDBM324931
PNG
(2-(2- | US10189841, Compound I-137 | US10399980, C...)
Show SMILES Cn1cc(nc1-c1ccc(Cn2c3nc(ncc3n(C)c2=O)-c2cccnc2OC2CC2)cc1)C(F)(F)F
Show InChI InChI=1S/C26H22F3N7O2/c1-34-14-20(26(27,28)29)32-22(34)16-7-5-15(6-8-16)13-36-23-19(35(2)25(36)37)12-31-21(33-23)18-4-3-11-30-24(18)38-17-9-10-17/h3-8,11-12,14,17H,9-10,13H2,1-2H3
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
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))
BDBM324931
PNG
(2-(2- | US10189841, Compound I-137 | US10399980, C...)
Show SMILES Cn1cc(nc1-c1ccc(Cn2c3nc(ncc3n(C)c2=O)-c2cccnc2OC2CC2)cc1)C(F)(F)F
Show InChI InChI=1S/C26H22F3N7O2/c1-34-14-20(26(27,28)29)32-22(34)16-7-5-15(6-8-16)13-36-23-19(35(2)25(36)37)12-31-21(33-23)18-4-3-11-30-24(18)38-17-9-10-17/h3-8,11-12,14,17H,9-10,13H2,1-2H3
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
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