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4 similar compounds to monomer 83922

Compile data set for download or QSAR
Wt: 310.3
BDBM50391429
Wt: 338.3
BDBM50391431
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Wt: 312.3
BDBM50017291
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Wt: 312.3
BDBM50017292
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50391429,50391431,50017291,50017292   
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
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50017292
PNG
(CHEMBL3287734)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)[C@]2(C)O
Show InChI InChI=1S/C18H16O5/c1-8-7-23-17-10-3-5-11-9(4-6-12(19)18(11,2)22)14(10)16(21)15(20)13(8)17/h3,5,7,12,19,22H,4,6H2,1-2H3/t12-,18-/m1/s1
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PubMed
194n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED/RbAp46/48 (unknown origin) using histone H3 peptide/varying conce...


Bioorg Med Chem Lett 24: 2486-92 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.010
BindingDB Entry DOI: 10.7270/Q2BR8TR4
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50391431
PNG
(CHEMBL2146517)
Show SMILES COC(=O)[C@@]1(C)CCCc2c1ccc1-c3occ(C)c3C(=O)C(=O)c21
Show InChI InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3/t20-/m0/s1
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9.70E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50391429
PNG
(CHEMBL215254)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
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2.16E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM50391431
PNG
(CHEMBL2146517)
Show SMILES COC(=O)[C@@]1(C)CCCc2c1ccc1-c3occ(C)c3C(=O)C(=O)c21
Show InChI InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3/t20-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...


Bioorg Med Chem Lett 24: 2486-92 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.010
BindingDB Entry DOI: 10.7270/Q2BR8TR4
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50391429
PNG
(CHEMBL215254)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
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n/an/a 5.20E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV PLpro deubiququitination expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence a...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50391431
PNG
(CHEMBL2146517)
Show SMILES COC(=O)[C@@]1(C)CCCc2c1ccc1-c3occ(C)c3C(=O)C(=O)c21
Show InChI InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3/t20-/m0/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV 3CLpro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edan as substrate after 60 mins by FRET analysis


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50391429
PNG
(CHEMBL215254)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluoresc...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50391429
PNG
(CHEMBL215254)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence assay


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50391431
PNG
(CHEMBL2146517)
Show SMILES COC(=O)[C@@]1(C)CCCc2c1ccc1-c3occ(C)c3C(=O)C(=O)c21
Show InChI InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3/t20-/m0/s1
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n/an/a 2.11E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV 3CLpro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edan as substrate after 60 mins by FRET analysis


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50391431
PNG
(CHEMBL2146517)
Show SMILES COC(=O)[C@@]1(C)CCCc2c1ccc1-c3occ(C)c3C(=O)C(=O)c21
Show InChI InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3/t20-/m0/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluoresc...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM50017292
PNG
(CHEMBL3287734)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)[C@]2(C)O
Show InChI InChI=1S/C18H16O5/c1-8-7-23-17-10-3-5-11-9(4-6-12(19)18(11,2)22)14(10)16(21)15(20)13(8)17/h3,5,7,12,19,22H,4,6H2,1-2H3/t12-,18-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...


Bioorg Med Chem Lett 24: 2486-92 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.010
BindingDB Entry DOI: 10.7270/Q2BR8TR4
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM50017291
PNG
(CHEMBL3287733)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)[C@]2(C)O
Show InChI InChI=1S/C18H16O5/c1-8-7-23-17-10-3-5-11-9(4-6-12(19)18(11,2)22)14(10)16(21)15(20)13(8)17/h3,5,7,12,19,22H,4,6H2,1-2H3/t12-,18+/m0/s1
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n/an/a 520n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...


Bioorg Med Chem Lett 24: 2486-92 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.010
BindingDB Entry DOI: 10.7270/Q2BR8TR4
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM50391429
PNG
(CHEMBL215254)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...


Bioorg Med Chem Lett 24: 2486-92 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.010
BindingDB Entry DOI: 10.7270/Q2BR8TR4
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50391429
PNG
(CHEMBL215254)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
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n/an/a 2.48E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV 3CLpro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edan as substrate after 60 mins by FRET analysis


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair