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SMILES: Cn1ncc2cc(ccc12)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1

InChI Key: InChIKey=GUMBIBQYIWPWMC-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 = 443334   
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)
BDBM443334
PNG
(6'-(1-Methyl-1H-indazol-5-yl)-2'-oxo- 1',4'-dihydr...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C21H19N5O/c1-25-19-5-3-15(9-17(19)11-23-25)14-2-4-18-16(8-14)10-21(20(27)24-18)6-7-26(12-21)13-22/h2-5,8-9,11H,6-7,10,12H2,1H3,(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)
BDBM443334
PNG
(6'-(1-Methyl-1H-indazol-5-yl)-2'-oxo- 1',4'-dihydr...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C21H19N5O/c1-25-19-5-3-15(9-17(19)11-23-25)14-2-4-18-16(8-14)10-21(20(27)24-18)6-7-26(12-21)13-22/h2-5,8-9,11H,6-7,10,12H2,1H3,(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)
BDBM443334
PNG
(6'-(1-Methyl-1H-indazol-5-yl)-2'-oxo- 1',4'-dihydr...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc2NC(=O)C3(CCN(C3)C#N)Cc2c1
Show InChI InChI=1S/C21H19N5O/c1-25-19-5-3-15(9-17(19)11-23-25)14-2-4-18-16(8-14)10-21(20(27)24-18)6-7-26(12-21)13-22/h2-5,8-9,11H,6-7,10,12H2,1H3,(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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