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Compile Data Set for Download or QSAR
Found
30
Enz. Inhib. hit(s) with all data for entry = 50016837
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM419133
(BDBM429386 | GC376)
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copy InChI
Affinity Data
Ki: 60nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
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In Depth
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Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM419120
(acs.jmedchem.1c00409_ST.487 | cmdc.202100576, 8d(N...)
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copy InChI
Affinity Data
Ki: 9.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
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MCE
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In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM419133
(BDBM429386 | GC376)
copy SMILES
copy InChI
Affinity Data
IC50: 30nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
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PC cid
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In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM420297
(acs.jmedchem.1c00409_ST.30 | med.21724, Compound 6...)
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copy InChI
Affinity Data
IC50: 40nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
MCE
PDB
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
PDB
3D Structure (crystal)
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50597664
(CHEMBL5207119)
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Affinity Data
IC50: 53nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM34233
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
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copy InChI
Affinity Data
IC50: 240nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
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Ligand Info
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CHEMBL
MCE
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In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50197301
(CHEMBL3922662 | ebselen derivative 1d)
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copy InChI
Affinity Data
IC50: 240nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50197349
(CHEMBL3983492 | ebselen derivative 1e)
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copy InChI
Affinity Data
IC50: 260nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50197300
(CHEMBL3912164 | ebselen derivative 2e)
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copy InChI
Affinity Data
IC50: 260nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50009001
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
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copy InChI
Affinity Data
IC50: 340nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
PDB
3D Structure (crystal)
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM31524
(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
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copy InChI
Affinity Data
IC50: 600nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
PDB
3D Structure (crystal)
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM420295
(alpha-ketoamide inhibitor 13b | med.21724, Compoun...)
copy SMILES
copy InChI
Affinity Data
IC50: 670nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
MCE
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM34233
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
copy SMILES
copy InChI
Affinity Data
IC50: 670nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM420283
(alpha-ketoamide inhibitor 11r | med.21724, Compoun...)
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copy InChI
Affinity Data
IC50: 710nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM420295
(alpha-ketoamide inhibitor 13b | med.21724, Compoun...)
copy SMILES
copy InChI
Affinity Data
IC50: 900nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
MCE
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50009001
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
copy SMILES
copy InChI
Affinity Data
IC50: 940nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
PDB
3D Structure (crystal)
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50009001
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
copy SMILES
copy InChI
Affinity Data
IC50: 1.10E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
PDB
3D Structure (crystal)
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50597663
(CHEMBL5208720)
copy SMILES
Affinity Data
IC50: 1.34E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM34233
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
copy SMILES
copy InChI
Affinity Data
IC50: 2.26E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM419133
(BDBM429386 | GC376)
copy SMILES
copy InChI
Affinity Data
IC50: 4.35E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50242173
((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
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copy InChI
Affinity Data
IC50: 6.41E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50597665
(CHEMBL5172346)
copy SMILES
Affinity Data
IC50: 1.00E+4nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50597666
(CHEMBL5176411)
copy SMILES
Affinity Data
IC50: 1.00E+4nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
PC cid
PC sid
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50197297
(CHEMBL3928799 | ebselen derivative 2d)
copy SMILES
copy InChI
Affinity Data
IC50: 3.40E+4nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50242173
((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
copy SMILES
copy InChI
Affinity Data
Kd: 1.24E+4nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50009001
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
copy SMILES
copy InChI
Affinity Data
Kd: 1.24E+4nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
PDB
3D Structure (crystal)
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50242173
((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
copy SMILES
copy InChI
Affinity Data
Kd: 1.15E+4nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50009001
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
copy SMILES
copy InChI
Affinity Data
Kd: 1.15E+4nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
PDB
3D Structure (crystal)
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50009001
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
copy SMILES
copy InChI
Affinity Data
EC50: 1.69E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed
PDB
3D Structure (crystal)
Target
Replicase polyprotein 1ab
(2019-nCoV)
TBA
Ligand
BDBM50242173
((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
copy SMILES
copy InChI
Affinity Data
EC50: 1.03E+4nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q2445RJD
PubMed