BindingDB logo
myBDB logout

3 similar compounds to monomer 32085

Compile data set for download or QSAR
Wt: 350.1
BDBM46593
Purchase
Wt: 309.3
BDBM61226
Purchase
Wt: 349.2
BDBM64796
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 46593,61226,64796   
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
Valosin-containing protein


(Homo sapiens (Human))
BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2513WMG
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM64796
PNG
(MLS000861878 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)10-7-5-9(6-8-10)15(24)21-16(25)13(22)11-3-1-2-4-12(11)14(16)23/h1-8,25H,(H,21,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.85E+3n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 870n/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)


Article DOI: 10.1021/cb4002602
BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 5.71E+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)


Article DOI: 10.1016/j.bioorg.2013.11.005
BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
protein phosphatase 1, catalytic subunit, alpha isoform 3


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.70E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27M06CD
More data for this
Ligand-Target Pair
protein phosphatase 1, catalytic subunit, alpha isoform 3


(Homo sapiens (Human))
BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.70E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27M06CD
More data for this
Ligand-Target Pair
protein phosphatase 1, catalytic subunit, alpha isoform 3


(Homo sapiens (Human))
BDBM64796
PNG
(MLS000861878 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)10-7-5-9(6-8-10)15(24)21-16(25)13(22)11-3-1-2-4-12(11)14(16)23/h1-8,25H,(H,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.70E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27M06CD
More data for this
Ligand-Target Pair
PPP5C protein


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 828n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23T9FN4
More data for this
Ligand-Target Pair
PPP5C protein


(Homo sapiens (Human))
BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.48E+3n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23T9FN4
More data for this
Ligand-Target Pair
PPP5C protein


(Homo sapiens (Human))
BDBM64796
PNG
(MLS000861878 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)10-7-5-9(6-8-10)15(24)21-16(25)13(22)11-3-1-2-4-12(11)14(16)23/h1-8,25H,(H,21,24)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 828n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23T9FN4
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM64796
PNG
(MLS000861878 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)10-7-5-9(6-8-10)15(24)21-16(25)13(22)11-3-1-2-4-12(11)14(16)23/h1-8,25H,(H,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.45E+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/Q2RJ4GZT
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.89E+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 (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.78E+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/Q2MS3R7H
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM64796
PNG
(MLS000861878 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)10-7-5-9(6-8-10)15(24)21-16(25)13(22)11-3-1-2-4-12(11)14(16)23/h1-8,25H,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.90E+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/Q2MS3R7H
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.48E+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
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.53E+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
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM64796
PNG
(MLS000861878 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)10-7-5-9(6-8-10)15(24)21-16(25)13(22)11-3-1-2-4-12(11)14(16)23/h1-8,25H,(H,21,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.66E+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-9


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 7.71E+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)


Article DOI: 10.1111/cbdd.12356
BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 3.93E+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)


Article DOI: 10.1111/cbdd.12356
BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM64796
PNG
(MLS000861878 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)10-7-5-9(6-8-10)15(24)21-16(25)13(22)11-3-1-2-4-12(11)14(16)23/h1-8,25H,(H,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 4.93E+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)


Article DOI: 10.1111/cbdd.12356
BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 5.13E+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)


Article DOI: 10.1021/acs.biochem.5b00607
BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 2.70E+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)


Article DOI: 10.1021/acs.biochem.5b00607
BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM64796
PNG
(MLS000861878 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)10-7-5-9(6-8-10)15(24)21-16(25)13(22)11-3-1-2-4-12(11)14(16)23/h1-8,25H,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 2.97E+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)


Article DOI: 10.1021/acs.biochem.5b00607
BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
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)


Article DOI: 10.1021/acs.biochem.5b00536
BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
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)


Article DOI: 10.1021/acs.biochem.5b00536
BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM64796
PNG
(MLS000861878 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)10-7-5-9(6-8-10)15(24)21-16(25)13(22)11-3-1-2-4-12(11)14(16)23/h1-8,25H,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
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)


Article DOI: 10.1021/acs.biochem.5b00536
BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 2.10E+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 (2012)


Article DOI: 10.1016/j.bioorg.2016.07.011
BindingDB Entry DOI: 10.7270/Q2RB736G
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.74E+3n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.20E+3n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
Valosin-containing protein


(Homo sapiens (Human))
BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair