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SMILES: O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1n[nH]c2ncccc12

InChI Key: InChIKey=ITVHSCOFHWBGHL-KRWDZBQOSA-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 4 hits for monomerid = 445165   
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
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445165
PNG
((S)-2-(4-(1H-pyrazolo[3,4- b]pyridin-3-yl)indoline...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1n[nH]c2ncccc12
Show InChI InChI=1S/C20H18N6O/c21-12-25-10-3-7-17(25)20(27)26-11-8-13-14(4-1-6-16(13)26)18-15-5-2-9-22-19(15)24-23-18/h1-2,4-6,9,17H,3,7-8,10-11H2,(H,22,23,24)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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 p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM445165
PNG
((S)-2-(4-(1H-pyrazolo[3,4- b]pyridin-3-yl)indoline...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1n[nH]c2ncccc12
Show InChI InChI=1S/C20H18N6O/c21-12-25-10-3-7-17(25)20(27)26-11-8-13-14(4-1-6-16(13)26)18-15-5-2-9-22-19(15)24-23-18/h1-2,4-6,9,17H,3,7-8,10-11H2,(H,22,23,24)/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445165
PNG
((S)-2-(4-(1H-pyrazolo[3,4- b]pyridin-3-yl)indoline...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1n[nH]c2ncccc12
Show InChI InChI=1S/C20H18N6O/c21-12-25-10-3-7-17(25)20(27)26-11-8-13-14(4-1-6-16(13)26)18-15-5-2-9-22-19(15)24-23-18/h1-2,4-6,9,17H,3,7-8,10-11H2,(H,22,23,24)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM445165
PNG
((S)-2-(4-(1H-pyrazolo[3,4- b]pyridin-3-yl)indoline...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1n[nH]c2ncccc12
Show InChI InChI=1S/C20H18N6O/c21-12-25-10-3-7-17(25)20(27)26-11-8-13-14(4-1-6-16(13)26)18-15-5-2-9-22-19(15)24-23-18/h1-2,4-6,9,17H,3,7-8,10-11H2,(H,22,23,24)/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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 US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair