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SMILES: Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1

InChI Key: InChIKey=RUMPAMJMDBPTGC-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 7 hits for monomerid = 50115   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50115
PNG
(3-hydroxy-N-[[5-[4-(2-pyrimidinylsulfamoyl)phenyl]...)
Show SMILES Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|
Show InChI InChI=1S/C26H19N5O5S/c32-23-15-19-5-2-1-4-18(19)14-22(23)25(33)30-29-16-20-8-11-24(36-20)17-6-9-21(10-7-17)37(34,35)31-26-27-12-3-13-28-26/h1-16,32H,(H,30,33)(H,27,28,31)
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n/an/a 1.63E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
SUMO-conjugating enzyme UBC9


(Homo sapiens (Human))
BDBM50115
PNG
(3-hydroxy-N-[[5-[4-(2-pyrimidinylsulfamoyl)phenyl]...)
Show SMILES Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|
Show InChI InChI=1S/C26H19N5O5S/c32-23-15-19-5-2-1-4-18(19)14-22(23)25(33)30-29-16-20-8-11-24(36-20)17-6-9-21(10-7-17)37(34,35)31-26-27-12-3-13-28-26/h1-16,32H,(H,30,33)(H,27,28,31)
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n/an/a 2.21E+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/Q2V986G8
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50115
PNG
(3-hydroxy-N-[[5-[4-(2-pyrimidinylsulfamoyl)phenyl]...)
Show SMILES Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|
Show InChI InChI=1S/C26H19N5O5S/c32-23-15-19-5-2-1-4-18(19)14-22(23)25(33)30-29-16-20-8-11-24(36-20)17-6-9-21(10-7-17)37(34,35)31-26-27-12-3-13-28-26/h1-16,32H,(H,30,33)(H,27,28,31)
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n/an/a 4.23E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50115
PNG
(3-hydroxy-N-[[5-[4-(2-pyrimidinylsulfamoyl)phenyl]...)
Show SMILES Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|
Show InChI InChI=1S/C26H19N5O5S/c32-23-15-19-5-2-1-4-18(19)14-22(23)25(33)30-29-16-20-8-11-24(36-20)17-6-9-21(10-7-17)37(34,35)31-26-27-12-3-13-28-26/h1-16,32H,(H,30,33)(H,27,28,31)
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n/an/a 1.09E+5n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)
BDBM50115
PNG
(3-hydroxy-N-[[5-[4-(2-pyrimidinylsulfamoyl)phenyl]...)
Show SMILES Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|
Show InChI InChI=1S/C26H19N5O5S/c32-23-15-19-5-2-1-4-18(19)14-22(23)25(33)30-29-16-20-8-11-24(36-20)17-6-9-21(10-7-17)37(34,35)31-26-27-12-3-13-28-26/h1-16,32H,(H,30,33)(H,27,28,31)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50115
PNG
(3-hydroxy-N-[[5-[4-(2-pyrimidinylsulfamoyl)phenyl]...)
Show SMILES Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|
Show InChI InChI=1S/C26H19N5O5S/c32-23-15-19-5-2-1-4-18(19)14-22(23)25(33)30-29-16-20-8-11-24(36-20)17-6-9-21(10-7-17)37(34,35)31-26-27-12-3-13-28-26/h1-16,32H,(H,30,33)(H,27,28,31)
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n/an/a>4.03E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50115
PNG
(3-hydroxy-N-[[5-[4-(2-pyrimidinylsulfamoyl)phenyl]...)
Show SMILES Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|
Show InChI InChI=1S/C26H19N5O5S/c32-23-15-19-5-2-1-4-18(19)14-22(23)25(33)30-29-16-20-8-11-24(36-20)17-6-9-21(10-7-17)37(34,35)31-26-27-12-3-13-28-26/h1-16,32H,(H,30,33)(H,27,28,31)
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n/an/a 1.24E+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/Q2BP0175
More data for this
Ligand-Target Pair