BindingDB logo
myBDB logout

PubMed code 24316352

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50494994
PNG
(CHEMBL3099526 | acs.jmedchem.1c00409_ST.240)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2N(C)C(=O)C(=O)c2c1
Show InChI InChI=1S/C15H18N2O4S/c1-10-5-7-17(8-6-10)22(20,21)11-3-4-13-12(9-11)14(18)15(19)16(13)2/h3-4,9-10H,5-8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.04E+3n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495001
PNG
(CHEMBL3099541 | acs.jmedchem.1c00409_ST.247)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C14H16N2O4S/c1-9-4-6-16(7-5-9)21(19,20)10-2-3-12-11(8-10)13(17)14(18)15-12/h2-3,8-9H,4-7H2,1H3,(H,15,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.18E+3n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495009
PNG
(CHEMBL3099527 | acs.jmedchem.1c00409_ST.241 | med....)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C21H22N2O4S/c1-15-9-11-22(12-10-15)28(26,27)17-7-8-19-18(13-17)20(24)21(25)23(19)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.69E+3n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495000
PNG
(CHEMBL3099542 | acs.jmedchem.1c00409_ST.304)
Show SMILES CC1CCCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C14H16N2O4S/c1-9-4-2-3-7-16(9)21(19,20)10-5-6-12-11(8-10)13(17)14(18)15-12/h5-6,8-9H,2-4,7H2,1H3,(H,15,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.25E+3n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50494993
PNG
(CHEMBL3099529 | acs.jmedchem.1c00409_ST.322)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2N(C)C(=O)C(=O)c2c1
Show InChI InChI=1S/C16H20N2O4S/c1-10-6-11(2)9-18(8-10)23(21,22)12-4-5-14-13(7-12)15(19)16(20)17(14)3/h4-5,7,10-11H,6,8-9H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.82E+3n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495006
PNG
(CHEMBL3099543 | acs.jmedchem.1c00409_ST.359)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C15H18N2O4S/c1-9-5-10(2)8-17(7-9)22(20,21)11-3-4-13-12(6-11)14(18)15(19)16-13/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM10310
PNG
(5-(piperidine-1-sulfonyl)-2,3-dihydro-1H-indole-2,...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C13H14N2O4S/c16-12-10-8-9(4-5-11(10)14-13(12)17)20(18,19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.45E+3n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50494992
PNG
(CHEMBL3099530 | acs.jmedchem.1c00409_ST.367)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H24N2O4S/c1-15-10-16(2)13-23(12-15)29(27,28)18-8-9-20-19(11-18)21(25)22(26)24(20)14-17-6-4-3-5-7-17/h3-9,11,15-16H,10,12-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50494991
PNG
(CHEMBL3099521 | acs.jmedchem.1c00409_ST.376)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C18H18N4O4S/c1-20-15-6-5-13(12-14(15)17(23)18(20)24)27(25,26)22-10-8-21(9-11-22)16-4-2-3-7-19-16/h2-7,12H,8-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.52E+3n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495012
PNG
(CHEMBL3099523 | acs.jmedchem.1c00409_ST.505)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C13H14N2O5S/c1-14-11-3-2-9(8-10(11)12(16)13(14)17)21(18,19)15-4-6-20-7-5-15/h2-3,8H,4-7H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.91E+3n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495003
PNG
(CHEMBL3099539 | acs.jmedchem.1c00409_ST.516)
Show SMILES O=C(N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1)c1ccco1
Show InChI InChI=1S/C17H15N3O6S/c21-15-12-10-11(3-4-13(12)18-16(15)22)27(24,25)20-7-5-19(6-8-20)17(23)14-2-1-9-26-14/h1-4,9-10H,5-8H2,(H,18,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50494999
PNG
(CHEMBL3099544 | acs.jmedchem.1c00409_ST.533)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C14H17N3O4S/c1-15-5-7-17(8-6-15)22(20,21)10-3-4-12-11(9-10)13(18)14(19)16(12)2/h3-4,9H,5-8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.18E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM29569
PNG
(acs.jmedchem.1c00409_ST.540 | isatin sulfonamide, ...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C12H12N2O5S/c15-11-9-7-8(1-2-10(9)13-12(11)16)20(17,18)14-3-5-19-6-4-14/h1-2,7H,3-6H2,(H,13,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50494997
PNG
(CHEMBL3099547 | acs.jmedchem.1c00409_ST.558)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C21H23N3O4S/c1-22-19-8-7-17(15-18(19)20(25)21(22)26)29(27,28)24-13-11-23(12-14-24)10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.39E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495010
PNG
(CHEMBL3099524 | acs.jmedchem.1c00409_ST.557)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H18N2O5S/c22-18-16-12-15(27(24,25)20-8-10-26-11-9-20)6-7-17(16)21(19(18)23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.39E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50494996
PNG
(CHEMBL3099522 | acs.jmedchem.1c00409_ST.559)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H20N2O4S/c23-19-17-13-16(27(25,26)21-11-5-2-6-12-21)9-10-18(17)22(20(19)24)14-15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495011
PNG
(CHEMBL3099528 | acs.jmedchem.1c00409_ST.586)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C25H24N2O4S/c1-17-10-12-26(13-11-17)32(30,31)21-8-9-23-22(15-21)24(28)25(29)27(23)16-18-6-7-19-4-2-3-5-20(19)14-18/h2-9,14-15,17H,10-13,16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.78E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50494990
PNG
(CHEMBL3099536 | acs.jmedchem.1c00409_ST.658)
Show SMILES Clc1cccc(CN2CCN(CC2)S(=O)(=O)c2ccc3NC(=O)C(=O)c3c2)c1
Show InChI InChI=1S/C19H18ClN3O4S/c20-14-3-1-2-13(10-14)12-22-6-8-23(9-7-22)28(26,27)15-4-5-17-16(11-15)18(24)19(25)21-17/h1-5,10-11H,6-9,12H2,(H,21,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.17E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495007
PNG
(CHEMBL3099537 | acs.jmedchem.1c00409_ST.660)
Show SMILES COc1cc(CN2CCN(CC2)S(=O)(=O)c2ccc3NC(=O)C(=O)c3c2)cc(OC)c1OC
Show InChI InChI=1S/C22H25N3O7S/c1-30-18-10-14(11-19(31-2)21(18)32-3)13-24-6-8-25(9-7-24)33(28,29)15-4-5-17-16(12-15)20(26)22(27)23-17/h4-5,10-12H,6-9,13H2,1-3H3,(H,23,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.21E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495013
PNG
(CHEMBL3099538 | acs.jmedchem.1c00409_ST.663)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C20H21N3O4S/c24-19-17-14-16(6-7-18(17)21-20(19)25)28(26,27)23-12-10-22(11-13-23)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,21,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.49E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50494995
PNG
(CHEMBL3099525 | acs.jmedchem.1c00409_ST.678)
Show SMILES O=C1N(Cc2ccc3ccccc3c2)c2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H20N2O5S/c26-22-20-14-19(31(28,29)24-9-11-30-12-10-24)7-8-21(20)25(23(22)27)15-16-5-6-17-3-1-2-4-18(17)13-16/h1-8,13-14H,9-12,15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.99E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495002
PNG
(CHEMBL3099540 | acs.jmedchem.1c00409_ST.708)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C17H16N4O4S/c22-16-13-11-12(4-5-14(13)19-17(16)23)26(24,25)21-9-7-20(8-10-21)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,19,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.13E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495008
PNG
(CHEMBL3099545 | acs.jmedchem.1c00409_ST.726)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H21N3O4S/c1-21-9-11-22(12-10-21)28(26,27)16-7-8-18-17(13-16)19(24)20(25)23(18)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.72E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495005
PNG
(CHEMBL3099533 | acs.jmedchem.1c00409_ST.736)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C13H15N3O4S/c1-15-4-6-16(7-5-15)21(19,20)9-2-3-11-10(8-9)12(17)13(18)14-11/h2-3,8H,4-7H2,1H3,(H,14,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.67E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50494998
PNG
(CHEMBL3099546 | acs.jmedchem.1c00409_ST.741)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C24H23N3O4S/c1-25-10-12-26(13-11-25)32(30,31)20-8-9-22-21(15-20)23(28)24(29)27(22)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-9,14-15H,10-13,16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.29E+4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50495004
PNG
(CHEMBL3099535)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C19H16F3N3O4S/c20-19(21,22)12-2-1-3-13(10-12)24-6-8-25(9-7-24)30(28,29)14-4-5-16-15(11-14)17(26)18(27)23-16/h1-5,10-11H,6-9H2,(H,23,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50494989
PNG
(CHEMBL3099534)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C18H16FN3O4S/c19-12-1-3-13(4-2-12)21-7-9-22(10-8-21)27(25,26)14-5-6-16-15(11-14)17(23)18(24)20-16/h1-6,11H,7-10H2,(H,20,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay

Bioorg Med Chem 22: 292-302 (2014)


Article DOI: 10.1016/j.bmc.2013.11.028
BindingDB Entry DOI: 10.7270/Q25X2CWF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%