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49 molecules are shown

Wt: 482.5
BDBM50343552
Wt: 486.5
BDBM50343553
Wt: 445.4
BDBM50343554
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Wt: 495.6
BDBM50343555
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50343552,50343553,50343554,50343555   
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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50343555
PNG
(CHEMBL1774326 | N-(2-furylmethyl)-2-{[5-(4-morphol...)
Show SMILES O=C(CSc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21)NCc1ccco1
Show InChI InChI=1S/C24H25N5O3S2/c30-18(25-12-15-4-3-9-32-15)13-33-24-21-20(26-14-27-24)19-16-5-1-2-6-17(16)22(28-23(19)34-21)29-7-10-31-11-8-29/h3-4,9,14H,1-2,5-8,10-13H2,(H,25,30)
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Article
PubMed
n/an/a 9.07E+4n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) after 30 mins by FRET based assay


Bioorg Med Chem Lett 21: 3088-91 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.034
BindingDB Entry DOI: 10.7270/Q2CC1112
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50343553
PNG
(4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydr...)
Show SMILES Cc1nc(C)c(s1)C(=O)C1C(N(CCCN2CCOCC2)C(=O)C1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O6S/c1-14-22(34-15(2)24-14)20(28)18-19(16-5-3-6-17(13-16)27(31)32)26(23(30)21(18)29)8-4-7-25-9-11-33-12-10-25/h3,5-6,13,18-19H,4,7-12H2,1-2H3
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Article
PubMed
n/an/a 1.01E+5n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) after 30 mins by FRET based assay


Bioorg Med Chem Lett 21: 3088-91 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.034
BindingDB Entry DOI: 10.7270/Q2CC1112
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50343555
PNG
(CHEMBL1774326 | N-(2-furylmethyl)-2-{[5-(4-morphol...)
Show SMILES O=C(CSc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21)NCc1ccco1
Show InChI InChI=1S/C24H25N5O3S2/c30-18(25-12-15-4-3-9-32-15)13-33-24-21-20(26-14-27-24)19-16-5-1-2-6-17(16)22(28-23(19)34-21)29-7-10-31-11-8-29/h3-4,9,14H,1-2,5-8,10-13H2,(H,25,30)
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n/an/a 9.07E+4n/an/an/an/an/an/a


TBA

Assay Description
This is a review article. Please point to the original journal.


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00409
BindingDB Entry DOI: 10.7270/Q2J1069F
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50343552
PNG
(1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-...)
Show SMILES COc1cc(ccc1O)C1C(C(=O)c2ccc(OCC(C)C)cc2C)C(=O)C(=O)N1CCN(C)C
Show InChI InChI=1S/C27H34N2O6/c1-16(2)15-35-19-8-9-20(17(3)13-19)25(31)23-24(18-7-10-21(30)22(14-18)34-6)29(12-11-28(4)5)27(33)26(23)32/h7-10,13-14,16,23-24,30H,11-12,15H2,1-6H3
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PubMed
n/an/a 6.28E+4n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) after 30 mins by FRET based assay


Bioorg Med Chem Lett 21: 3088-91 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.034
BindingDB Entry DOI: 10.7270/Q2CC1112
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50343554
PNG
(CHEMBL1774325 | N-(1-{[2-(4-hydroxy-3,5-dimethoxyb...)
Show SMILES COc1cc(\C=N\NC(=O)C(\NC(=O)c2ccccc2)=C/c2ccccc2)cc(OC)c1O
Show InChI InChI=1S/C25H23N3O5/c1-32-21-14-18(15-22(33-2)23(21)29)16-26-28-25(31)20(13-17-9-5-3-6-10-17)27-24(30)19-11-7-4-8-12-19/h3-16,29H,1-2H3,(H,27,30)(H,28,31)/b20-13+,26-16+
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PC cid
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Article
PubMed
n/an/a 7.71E+4n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) after 30 mins by FRET based assay


Bioorg Med Chem Lett 21: 3088-91 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.034
BindingDB Entry DOI: 10.7270/Q2CC1112
More data for this
Ligand-Target Pair