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8 similar compounds to monomer 38837

Compile data set for download or QSAR
Wt: 265.2
BDBM10250
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Wt: 279.2
BDBM10251
Wt: 189.1
BDBM10248
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Wt: 251.2
BDBM41005
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Wt: 281.3
BDBM71372
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Wt: 285.7
BDBM93658
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Wt: 362.4
BDBM50004012
Wt: 161.1
BDBM50322995
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 10250,10251,10248,41005,71372,93658,50004012,50322995   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Caspase-3


(Homo sapiens (Human))
BDBM10248
PNG
(2-Methylisoquinoline-1,3,4-trione | 2-methyl-1,2,3...)
Show SMILES CN1C(=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H7NO3/c1-11-9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5H,1H3
PDB
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Article
PubMed
n/an/a 255n/an/an/an/a7.535



Shanghai Institutes for Biological Sciences



Assay Description
The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...


J Med Chem 49: 1613-23 (2006)


Article DOI: 10.1021/jm050896o
BindingDB Entry DOI: 10.7270/Q23N21MB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50004012
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)isoquinoline-1,...)
Show SMILES O=C1Cc2ccccc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N2O2/c26-22-16-20-8-4-5-9-21(20)23(27)25(22)15-12-18-10-13-24(14-11-18)17-19-6-2-1-3-7-19/h1-9,18H,10-17H2
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n/an/a 23n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM10251
PNG
(2-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-1...)
Show SMILES O=C1N(CCc2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H13NO3/c19-15-13-8-4-5-9-14(13)16(20)18(17(15)21)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
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n/an/a 544n/an/an/an/a7.535



Shanghai Institutes for Biological Sciences



Assay Description
The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...


J Med Chem 49: 1613-23 (2006)


Article DOI: 10.1021/jm050896o
BindingDB Entry DOI: 10.7270/Q23N21MB
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM41005
PNG
(2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...)
Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
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n/an/a>7.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41005
PNG
(2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...)
Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
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n/an/a>6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM71372
PNG
(2-(4-methoxybenzyl)-1,3(2H,4H)-isoquinolinedione |...)
Show SMILES COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-21-14-8-6-12(7-9-14)11-18-16(19)10-13-4-2-3-5-15(13)17(18)20/h2-9H,10-11H2,1H3
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n/an/a 4.96E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM71372
PNG
(2-(4-methoxybenzyl)-1,3(2H,4H)-isoquinolinedione |...)
Show SMILES COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-21-14-8-6-12(7-9-14)11-18-16(19)10-13-4-2-3-5-15(13)17(18)20/h2-9H,10-11H2,1H3
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n/an/a 2.92E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM71372
PNG
(2-(4-methoxybenzyl)-1,3(2H,4H)-isoquinolinedione |...)
Show SMILES COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-21-14-8-6-12(7-9-14)11-18-16(19)10-13-4-2-3-5-15(13)17(18)20/h2-9H,10-11H2,1H3
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n/an/a 1.33E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM71372
PNG
(2-(4-methoxybenzyl)-1,3(2H,4H)-isoquinolinedione |...)
Show SMILES COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-21-14-8-6-12(7-9-14)11-18-16(19)10-13-4-2-3-5-15(13)17(18)20/h2-9H,10-11H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM41005
PNG
(2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...)
Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
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n/an/a 3.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM71372
PNG
(2-(4-methoxybenzyl)-1,3(2H,4H)-isoquinolinedione |...)
Show SMILES COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-21-14-8-6-12(7-9-14)11-18-16(19)10-13-4-2-3-5-15(13)17(18)20/h2-9H,10-11H2,1H3
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n/an/a 6.99E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM41005
PNG
(2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...)
Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM71372
PNG
(2-(4-methoxybenzyl)-1,3(2H,4H)-isoquinolinedione |...)
Show SMILES COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-21-14-8-6-12(7-9-14)11-18-16(19)10-13-4-2-3-5-15(13)17(18)20/h2-9H,10-11H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM41005
PNG
(2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...)
Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
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n/an/a 3.91E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM71372
PNG
(2-(4-methoxybenzyl)-1,3(2H,4H)-isoquinolinedione |...)
Show SMILES COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-21-14-8-6-12(7-9-14)11-18-16(19)10-13-4-2-3-5-15(13)17(18)20/h2-9H,10-11H2,1H3
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n/an/a 401n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM93658
PNG
(2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione | ...)
Show SMILES Clc1cccc(CN2C(=O)Cc3ccccc3C2=O)c1
Show InChI InChI=1S/C16H12ClNO2/c17-13-6-3-4-11(8-13)10-18-15(19)9-12-5-1-2-7-14(12)16(18)20/h1-8H,9-10H2
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n/an/a 528n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM50322995
PNG
(CHEMBL1210769 | cid_349435 | isoquinoline-1,3(2H,4...)
Show SMILES O=C1Cc2ccccc2C(=O)N1
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12)
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n/an/a 40.8n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM41005
PNG
(2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...)
Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
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n/an/a 1.06E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM71372
PNG
(2-(4-methoxybenzyl)-1,3(2H,4H)-isoquinolinedione |...)
Show SMILES COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-21-14-8-6-12(7-9-14)11-18-16(19)10-13-4-2-3-5-15(13)17(18)20/h2-9H,10-11H2,1H3
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n/an/a 401n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM93658
PNG
(2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione | ...)
Show SMILES Clc1cccc(CN2C(=O)Cc3ccccc3C2=O)c1
Show InChI InChI=1S/C16H12ClNO2/c17-13-6-3-4-11(8-13)10-18-15(19)9-12-5-1-2-7-14(12)16(18)20/h1-8H,9-10H2
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n/an/a 528n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM50322995
PNG
(CHEMBL1210769 | cid_349435 | isoquinoline-1,3(2H,4...)
Show SMILES O=C1Cc2ccccc2C(=O)N1
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12)
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n/an/a 40.8n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM41005
PNG
(2-(phenylmethyl)-4H-isoquinoline-1,3-dione | 2-ben...)
Show SMILES O=C1Cc2ccccc2C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C16H13NO2/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
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n/an/a 1.06E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004012
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)isoquinoline-1,...)
Show SMILES O=C1Cc2ccccc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N2O2/c26-22-16-20-8-4-5-9-21(20)23(27)25(22)15-12-18-10-13-24(14-11-18)17-19-6-2-1-3-7-19/h1-9,18H,10-17H2
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n/an/a 23n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50322995
PNG
(CHEMBL1210769 | cid_349435 | isoquinoline-1,3(2H,4...)
Show SMILES O=C1Cc2ccccc2C(=O)N1
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM50322995
PNG
(CHEMBL1210769 | cid_349435 | isoquinoline-1,3(2H,4...)
Show SMILES O=C1Cc2ccccc2C(=O)N1
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12)
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused NIK expressed in Sf9 cells after 60 mins by radiometric protein kinase assay


Bioorg Med Chem Lett 20: 4515-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.027
BindingDB Entry DOI: 10.7270/Q2D79BKX
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM10250
PNG
(2-Benzylisoquinoline-1,3,4-trione | 2-benzyl-1,2,3...)
Show SMILES O=C1N(Cc2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H11NO3/c18-14-12-8-4-5-9-13(12)15(19)17(16(14)20)10-11-6-2-1-3-7-11/h1-9H,10H2
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n/an/a 331n/an/an/an/a7.535



Shanghai Institutes for Biological Sciences



Assay Description
The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...


J Med Chem 49: 1613-23 (2006)


Article DOI: 10.1021/jm050896o
BindingDB Entry DOI: 10.7270/Q23N21MB
More data for this
Ligand-Target Pair