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SMILES: O=C1Nc2cc(cnc2O[C@]11CCN(C1)C#N)-c1ccc(cc1)C#N

InChI Key: InChIKey=AUYFWPWADNCLMC-SFHVURJKSA-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 = 443297   
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
OTU domain-containing protein 7B


(Human)
BDBM443297
PNG
((S)-7-(4- Cyanophenyl)- 2-oxo-1,2- dihydrospiro [p...)
Show SMILES O=C1Nc2cc(cnc2O[C@]11CCN(C1)C#N)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C18H13N5O2/c19-8-12-1-3-13(4-2-12)14-7-15-16(21-9-14)25-18(17(24)22-15)5-6-23(10-18)11-20/h1-4,7,9H,5-6,10H2,(H,22,24)/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63QX
More data for this
Ligand-Target Pair
OTU domain-containing protein 7B


(Human)
BDBM443297
PNG
((S)-7-(4- Cyanophenyl)- 2-oxo-1,2- dihydrospiro [p...)
Show SMILES O=C1Nc2cc(cnc2O[C@]11CCN(C1)C#N)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C18H13N5O2/c19-8-12-1-3-13(4-2-12)14-7-15-16(21-9-14)25-18(17(24)22-15)5-6-23(10-18)11-20/h1-4,7,9H,5-6,10H2,(H,22,24)/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10654853 (2020)


BindingDB Entry DOI: 10.7270/Q21V5J02
More data for this
Ligand-Target Pair