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SMILES: O=C(Nc1ccccc1)c1ccc2NC(=O)C3(CCN(C3)C#N)Oc2n1

InChI Key: InChIKey=GSFOZGZZBRWSKD-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 2 hits for monomerid = 443370   
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)
BDBM443370
PNG
(1′-Cyano-2-oxo-N-phenyl-1,2-dihydrospiro[pyr...)
Show SMILES O=C(Nc1ccccc1)c1ccc2NC(=O)C3(CCN(C3)C#N)Oc2n1
Show InChI InChI=1S/C18H15N5O3/c19-11-23-9-8-18(10-23)17(25)22-14-7-6-13(21-16(14)26-18)15(24)20-12-4-2-1-3-5-12/h1-7H,8-10H2,(H,20,24)(H,22,25)
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)
BDBM443370
PNG
(1′-Cyano-2-oxo-N-phenyl-1,2-dihydrospiro[pyr...)
Show SMILES O=C(Nc1ccccc1)c1ccc2NC(=O)C3(CCN(C3)C#N)Oc2n1
Show InChI InChI=1S/C18H15N5O3/c19-11-23-9-8-18(10-23)17(25)22-14-7-6-13(21-16(14)26-18)15(24)20-12-4-2-1-3-5-12/h1-7H,8-10H2,(H,20,24)(H,22,25)
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