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SMILES: O=C1Nc2ccc(cc2CC11CCN(C1)C#N)-c1cccc(NS(=O)(=O)C2CC2)c1

InChI Key: InChIKey=GDJPSGZZBBIQRW-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 = 443336   
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)
BDBM443336
PNG
(N-(3-(1-Cyano-2'-oxo-1',4'-dihydro- 2'H-spiro[pyrr...)
Show SMILES O=C1Nc2ccc(cc2CC11CCN(C1)C#N)-c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C22H22N4O3S/c23-14-26-9-8-22(13-26)12-17-10-16(4-7-20(17)24-21(22)27)15-2-1-3-18(11-15)25-30(28,29)19-5-6-19/h1-4,7,10-11,19,25H,5-6,8-9,12-13H2,(H,24,27)
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
OTU domain-containing protein 7B


(Human)
BDBM443336
PNG
(N-(3-(1-Cyano-2'-oxo-1',4'-dihydro- 2'H-spiro[pyrr...)
Show SMILES O=C1Nc2ccc(cc2CC11CCN(C1)C#N)-c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C22H22N4O3S/c23-14-26-9-8-22(13-26)12-17-10-16(4-7-20(17)24-21(22)27)15-2-1-3-18(11-15)25-30(28,29)19-5-6-19/h1-4,7,10-11,19,25H,5-6,8-9,12-13H2,(H,24,27)
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)
BDBM443336
PNG
(N-(3-(1-Cyano-2'-oxo-1',4'-dihydro- 2'H-spiro[pyrr...)
Show SMILES O=C1Nc2ccc(cc2CC11CCN(C1)C#N)-c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C22H22N4O3S/c23-14-26-9-8-22(13-26)12-17-10-16(4-7-20(17)24-21(22)27)15-2-1-3-18(11-15)25-30(28,29)19-5-6-19/h1-4,7,10-11,19,25H,5-6,8-9,12-13H2,(H,24,27)
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