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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 50986   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50986
PNG
(MLS000563434 | SMR000232286 | cid_160876)
Show SMILES COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC
Show InChI InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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Article
PubMed
n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL21 using H3K4me2 peptide as substrate preincubated with enzyme for 10...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113501
BindingDB Entry DOI: 10.7270/Q2T72N77
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50986
PNG
(MLS000563434 | SMR000232286 | cid_160876)
Show SMILES COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC
Show InChI InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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n/an/a 140n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114143
BindingDB Entry DOI: 10.7270/Q28W3J9V
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50986
PNG
(MLS000563434 | SMR000232286 | cid_160876)
Show SMILES COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC
Show InChI InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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n/an/a 140n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113254
BindingDB Entry DOI: 10.7270/Q22Z19G8
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50986
PNG
(MLS000563434 | SMR000232286 | cid_160876)
Show SMILES COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC
Show InChI InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Mean functional activity against human H3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50986
PNG
(MLS000563434 | SMR000232286 | cid_160876)
Show SMILES COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC
Show InChI InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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n/an/a 140n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114564
BindingDB Entry DOI: 10.7270/Q2NV9P6H
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)
BDBM50986
PNG
(MLS000563434 | SMR000232286 | cid_160876)
Show SMILES COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC
Show InChI InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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PCBioAssay
n/an/a 1.72E+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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
SUMO-conjugating enzyme UBC9


(Homo sapiens (Human))
BDBM50986
PNG
(MLS000563434 | SMR000232286 | cid_160876)
Show SMILES COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC
Show InChI InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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PC cid
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PCBioAssay
n/an/a 4.17E+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
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50986
PNG
(MLS000563434 | SMR000232286 | cid_160876)
Show SMILES COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC
Show InChI InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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n/an/a 8.68E+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/Q2BP0175
More data for this
Ligand-Target Pair