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SMILES: [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O

InChI Key: InChIKey=KWRZMKSLQYYYOV-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 8 hits for monomerid = 49153   
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))
BDBM49153
PNG
(MLS000530403 | N'-[1-(1,3-dioxo-2,3-dihydro-1H...)
Show SMILES [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
Show InChI InChI=1S/C22H16N2O4/c1-12(19-20(26)15-8-4-5-9-16(15)21(19)27)23-24-22(28)17-10-13-6-2-3-7-14(13)11-18(17)25/h2-11,23,25H,1H3,(H,24,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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UniChem

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PCBioAssay
n/an/a 2.11E+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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM49153
PNG
(MLS000530403 | N'-[1-(1,3-dioxo-2,3-dihydro-1H...)
Show SMILES [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
Show InChI InChI=1S/C22H16N2O4/c1-12(19-20(26)15-8-4-5-9-16(15)21(19)27)23-24-22(28)17-10-13-6-2-3-7-14(13)11-18(17)25/h2-11,23,25H,1H3,(H,24,28)
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n/an/a 58.8n/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: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM49153
PNG
(MLS000530403 | N'-[1-(1,3-dioxo-2,3-dihydro-1H...)
Show SMILES [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
Show InChI InChI=1S/C22H16N2O4/c1-12(19-20(26)15-8-4-5-9-16(15)21(19)27)23-24-22(28)17-10-13-6-2-3-7-14(13)11-18(17)25/h2-11,23,25H,1H3,(H,24,28)
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n/an/a 1.20E+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
Phospholipase A2


(Homo sapiens (Human))
BDBM49153
PNG
(MLS000530403 | N'-[1-(1,3-dioxo-2,3-dihydro-1H...)
Show SMILES [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
Show InChI InChI=1S/C22H16N2O4/c1-12(19-20(26)15-8-4-5-9-16(15)21(19)27)23-24-22(28)17-10-13-6-2-3-7-14(13)11-18(17)25/h2-11,23,25H,1H3,(H,24,28)
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n/an/a 4.87E+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 (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM49153
PNG
(MLS000530403 | N'-[1-(1,3-dioxo-2,3-dihydro-1H...)
Show SMILES [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
Show InChI InChI=1S/C22H16N2O4/c1-12(19-20(26)15-8-4-5-9-16(15)21(19)27)23-24-22(28)17-10-13-6-2-3-7-14(13)11-18(17)25/h2-11,23,25H,1H3,(H,24,28)
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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/Q2J67FCM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM49153
PNG
(MLS000530403 | N'-[1-(1,3-dioxo-2,3-dihydro-1H...)
Show SMILES [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
Show InChI InChI=1S/C22H16N2O4/c1-12(19-20(26)15-8-4-5-9-16(15)21(19)27)23-24-22(28)17-10-13-6-2-3-7-14(13)11-18(17)25/h2-11,23,25H,1H3,(H,24,28)
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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
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM49153
PNG
(MLS000530403 | N'-[1-(1,3-dioxo-2,3-dihydro-1H...)
Show SMILES [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
Show InChI InChI=1S/C22H16N2O4/c1-12(19-20(26)15-8-4-5-9-16(15)21(19)27)23-24-22(28)17-10-13-6-2-3-7-14(13)11-18(17)25/h2-11,23,25H,1H3,(H,24,28)
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n/an/a 5.43E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM49153
PNG
(MLS000530403 | N'-[1-(1,3-dioxo-2,3-dihydro-1H...)
Show SMILES [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
Show InChI InChI=1S/C22H16N2O4/c1-12(19-20(26)15-8-4-5-9-16(15)21(19)27)23-24-22(28)17-10-13-6-2-3-7-14(13)11-18(17)25/h2-11,23,25H,1H3,(H,24,28)
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair