Found 789 hits with Last Name = 'manickam' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429243
(jm5b01461, Compound 60)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1cccc(c1)N(C)C)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C35H46N6O6S/c1-20(2)16-27(38-33(45)29(21(3)4)40-35(46)47-19-22-10-9-11-24(17-22)41(5)6)32(44)37-26(18-23-14-15-36-31(23)43)30(42)34-39-25-12-7-8-13-28(25)48-34/h7-13,17,20-21,23,26-27,29H,14-16,18-19H2,1-6H3,(H,36,43)(H,37,44)(H,38,45)(H,40,46)/t23-,26-,27-,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429243
(jm5b01461, Compound 60)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1cccc(c1)N(C)C)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C35H46N6O6S/c1-20(2)16-27(38-33(45)29(21(3)4)40-35(46)47-19-22-10-9-11-24(17-22)41(5)6)32(44)37-26(18-23-14-15-36-31(23)43)30(42)34-39-25-12-7-8-13-28(25)48-34/h7-13,17,20-21,23,26-27,29H,14-16,18-19H2,1-6H3,(H,36,43)(H,37,44)(H,38,45)(H,40,46)/t23-,26-,27-,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429242
(acs.jmedchem.1c00409_ST.4 | jm5b01461, Compound 59)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C30H33N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,32H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-/m0/s1 | PDB
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UniChem
| Article
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429242
(acs.jmedchem.1c00409_ST.4 | jm5b01461, Compound 59)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C30H33N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,32H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-/m0/s1 | PDB
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UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM59242
(Benzotriazole ester, 8 | acs.jmedchem.1c00409_ST.6...)Show InChI InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H | PDB
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| Article
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| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429296
(jm5b01461, Compound 116)Show InChI InChI=1S/C16H10N4O3/c21-15(11-5-6-12-10(9-11)7-8-17-12)16(22)23-20-14-4-2-1-3-13(14)18-19-20/h1-9,17H | PDB
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| PC cid
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UniChem
| Article
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| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429294
(jm5b01461, Compound 114)Show InChI InChI=1S/C18H18N4O3/c1-3-21(4-2)14-11-9-13(10-12-14)17(23)18(24)25-22-16-8-6-5-7-15(16)19-20-22/h5-12H,3-4H2,1-2H3 | PDB
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| PC cid
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UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429297
(jm5b01461, Compound 117)Show InChI InChI=1S/C16H10N4O3/c21-15(13-9-10-5-1-2-6-11(10)17-13)16(22)23-20-14-8-4-3-7-12(14)18-19-20/h1-9,17H | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429293
(jm5b01461, Compound 113)Show InChI InChI=1S/C15H12N4O3/c1-16-11-8-6-10(7-9-11)14(20)15(21)22-19-13-5-3-2-4-12(13)17-18-19/h2-9,16H,1H3 | PDB
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| PC cid
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UniChem
| Article
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429292
(jm5b01461, Compound 112)Show InChI InChI=1S/C16H14N4O3/c1-19(2)12-9-7-11(8-10-12)15(21)16(22)23-20-14-6-4-3-5-13(14)17-18-20/h3-10H,1-2H3 | PDB
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| Article
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM59238
(Benzotriazole ester, 4 | acs.jmedchem.1c00409_ST.1...)Show InChI InChI=1S/C15H14N4O2/c1-18(2)12-9-7-11(8-10-12)15(20)21-19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3 | PDB
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| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM59237
(Benzotriazole ester, 3 | acs.jmedchem.1c00409_ST.1...)Show InChI InChI=1S/C13H10N4O2/c14-10-6-2-1-5-9(10)13(18)19-17-12-8-4-3-7-11(12)15-16-17/h1-8H,14H2 | PDB
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| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM59237
(Benzotriazole ester, 3 | acs.jmedchem.1c00409_ST.1...)Show InChI InChI=1S/C13H10N4O2/c14-10-6-2-1-5-9(10)13(18)19-17-12-8-4-3-7-11(12)15-16-17/h1-8H,14H2 | PDB
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| PC cid
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| Article
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429417
(acs.jmedchem.1c00409_ST.20 | med.21724, Compound 9...)Show InChI InChI=1S/C14H9N5O2/c20-14(9-5-6-10-12(7-9)16-8-15-10)21-19-13-4-2-1-3-11(13)17-18-19/h1-8H,(H,15,16) | PDB
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| PC cid
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| Article
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429295
(jm5b01461, Compound 115)Show InChI InChI=1S/C15H9N5O3/c21-14(9-5-6-10-12(7-9)17-8-16-10)15(22)23-20-13-4-2-1-3-11(13)18-19-20/h1-8H,(H,16,17) | PDB
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| PC cid
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UniChem
| Article
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429360
(acs.jmedchem.1c00409_ST.31 | cmdc.202100576, 4a | ...)Show SMILES OB(O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)B(O)O)cc1 Show InChI InChI=1S/C20H16B2N4O10/c27-19(11-5-13(21(29)30)9-17(7-11)25(33)34)23-15-1-2-16(4-3-15)24-20(28)12-6-14(22(31)32)10-18(8-12)26(35)36/h1-10,29-32H,(H,23,27)(H,24,28) | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429365
(med.21724, Compound 38)Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)CC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C Show InChI InChI=1S/C34H51N3O8/c1-8-43-29(39)15-14-27(19-25-16-17-35-31(25)40)36-32(41)26(18-22(2)3)20-28(38)30(23(4)45-34(5,6)7)37-33(42)44-21-24-12-10-9-11-13-24/h9-15,22-23,25-27,30H,8,16-21H2,1-7H3,(H,35,40)(H,36,41)(H,37,42)/b15-14+/t23?,25-,26+,27+,30-/m0/s1 | PDB
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| PC cid
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| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM428977
(jm5b01461, Compound 18)Show SMILES CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C |w:5.4| Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26+,28-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429100
(MPI8 | jm5b01461, Compound 45)Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1 | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429370
(med.21724, Compound 41)Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C33H49N3O7/c1-22(43-33(2,3)4)29(36-32(41)42-21-24-13-9-6-10-14-24)28(38)19-26(17-23-11-7-5-8-12-23)31(40)35-27(20-37)18-25-15-16-34-30(25)39/h6,9-10,13-14,20,22-23,25-27,29H,5,7-8,11-12,15-19,21H2,1-4H3,(H,34,39)(H,35,40)(H,36,41)/t22?,25-,26+,27-,29-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429357
(JMF158 | jm5b01461, Compound 174)Show InChI InChI=1S/2C4H6NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2,5H,1H2,(H,6,7)(H,8,9);/q2*-1;+4/p-2 | PDB
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| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(HCoV-229E) | BDBM429100
(MPI8 | jm5b01461, Compound 45)Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1 | PDB
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University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(HCoV-229E) | BDBM429370
(med.21724, Compound 41)Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C33H49N3O7/c1-22(43-33(2,3)4)29(36-32(41)42-21-24-13-9-6-10-14-24)28(38)19-26(17-23-11-7-5-8-12-23)31(40)35-27(20-37)18-25-15-16-34-30(25)39/h6,9-10,13-14,20,22-23,25-27,29H,5,7-8,11-12,15-19,21H2,1-4H3,(H,34,39)(H,35,40)(H,36,41)/t22?,25-,26+,27-,29-/m0/s1 | PDB
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429253
(jm5b01461, Compound 71)Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)[C@H](O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C54H66N8O10/c1-31(2)45(61-49(65)33(5)57-53(69)71-29-35-17-9-7-10-18-35)51(67)59-43(25-37-27-55-41-23-15-13-21-39(37)41)47(63)48(64)44(26-38-28-56-42-24-16-14-22-40(38)42)60-52(68)46(32(3)4)62-50(66)34(6)58-54(70)72-30-36-19-11-8-12-20-36/h7-24,27-28,31-34,43-48,55-56,63-64H,25-26,29-30H2,1-6H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,65)(H,62,66)/t33-,34-,43-,44-,45-,46-,47+,48+/m0/s1 | PDB
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University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429253
(jm5b01461, Compound 71)Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)[C@H](O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C54H66N8O10/c1-31(2)45(61-49(65)33(5)57-53(69)71-29-35-17-9-7-10-18-35)51(67)59-43(25-37-27-55-41-23-15-13-21-39(37)41)47(63)48(64)44(26-38-28-56-42-24-16-14-22-40(38)42)60-52(68)46(32(3)4)62-50(66)34(6)58-54(70)72-30-36-19-11-8-12-20-36/h7-24,27-28,31-34,43-48,55-56,63-64H,25-26,29-30H2,1-6H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,65)(H,62,66)/t33-,34-,43-,44-,45-,46-,47+,48+/m0/s1 | PDB
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University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(HCoV-229E) | BDBM429100
(MPI8 | jm5b01461, Compound 45)Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1 | PDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429354
(jm5b01461, Compound 171)Show InChI InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2 | PDB
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University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Orf1a protein
(MERS-CoV) | BDBM429369
(med.21724, Compound 40)Show SMILES CC(C)C[C@H](CC(=O)[C@H](C)NC(=O)c1cc(C)on1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)\C=C\C(=O)OCc1ccccc1 Show InChI InChI=1S/C31H40N4O7/c1-19(2)14-24(17-27(36)21(4)33-31(40)26-15-20(3)42-35-26)30(39)34-25(16-23-12-13-32-29(23)38)10-11-28(37)41-18-22-8-6-5-7-9-22/h5-11,15,19,21,23-25H,12-14,16-18H2,1-4H3,(H,32,38)(H,33,40)(H,34,39)/b11-10+/t21-,23-,24+,25+/m0/s1 | PDB
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| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429244
(jm5b01461, Compound 61)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C32H41F3N4O6/c1-19(2)16-25(29(42)37-24(27(40)32(33,34)35)17-22-12-8-6-9-13-22)38-30(43)26(20(3)4)39-28(41)21(5)36-31(44)45-18-23-14-10-7-11-15-23/h6-15,19-21,24-26H,16-18H2,1-5H3,(H,36,44)(H,37,42)(H,38,43)(H,39,41)/t21-,24-,25-,26-/m0/s1 | PDB
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429353
(jm5b01461, Compound 170)Show InChI InChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1 | PDB
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University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429252
(acs.jmedchem.1c00409_ST.146 | jm5b01461, Compound ...)Show SMILES O[C@H]([C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)[C@H](O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C38H38N4O6/c43-35(33(19-27-21-39-31-17-9-7-15-29(27)31)41-37(45)47-23-25-11-3-1-4-12-25)36(44)34(20-28-22-40-32-18-10-8-16-30(28)32)42-38(46)48-24-26-13-5-2-6-14-26/h1-18,21-22,33-36,39-40,43-44H,19-20,23-24H2,(H,41,45)(H,42,46)/t33-,34-,35+,36+/m0/s1 | PDB
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| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429252
(acs.jmedchem.1c00409_ST.146 | jm5b01461, Compound ...)Show SMILES O[C@H]([C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)[C@H](O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C38H38N4O6/c43-35(33(19-27-21-39-31-17-9-7-15-29(27)31)41-37(45)47-23-25-11-3-1-4-12-25)36(44)34(20-28-22-40-32-18-10-8-16-30(28)32)42-38(46)48-24-26-13-5-2-6-14-26/h1-18,21-22,33-36,39-40,43-44H,19-20,23-24H2,(H,41,45)(H,42,46)/t33-,34-,35+,36+/m0/s1 | PDB
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| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Tyrosinase
(Homo sapiens (Human)) | BDBM50205807
(CHEMBL3978212)Show InChI InChI=1S/C14H9NO5/c16-9-2-3-10-11(6-9)20-12(14(10)18)5-8-1-4-13(17)15(19)7-8/h1-7,16,19H/b12-5- | KEGG
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| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo... |
J Med Chem 61: 7395-7418 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2 |
More data for this
Ligand-Target Pair | |
Tyrosinase
(Homo sapiens (Human)) | BDBM50205807
(CHEMBL3978212)Show InChI InChI=1S/C14H9NO5/c16-9-2-3-10-11(6-9)20-12(14(10)18)5-8-1-4-13(17)15(19)7-8/h1-7,16,19H/b12-5- | KEGG
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| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo... |
J Med Chem 61: 7395-7418 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429399
(acs.jmedchem.1c00409_ST.151 | med.21724, Compound ...)Show SMILES COc1cccc(NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)c2nc3ccccc3s2)c1 Show InChI InChI=1S/C29H35N5O5S/c1-17(2)13-23(32-25(35)16-31-19-7-6-8-20(15-19)39-3)28(38)33-22(14-18-11-12-30-27(18)37)26(36)29-34-21-9-4-5-10-24(21)40-29/h4-10,15,17-18,22-23,31H,11-14,16H2,1-3H3,(H,30,37)(H,32,35)(H,33,38)/t18-,22-,23-/m0/s1 | PDB
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| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM11261
(dipeptidomimetic unsaturated ester 18c | ethyl (2E...)Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C33H37N3O4/c1-4-40-32(38)22-18-28(23-26-11-7-5-8-12-26)34-33(39)30(24-27-13-9-6-10-14-27)35-31(37)21-17-25-15-19-29(20-16-25)36(2)3/h5-22,28,30H,4,23-24H2,1-3H3,(H,34,39)(H,35,37)/b21-17+,22-18+/t28-,30+/m1/s1 | PDB
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| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM11261
(dipeptidomimetic unsaturated ester 18c | ethyl (2E...)Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C33H37N3O4/c1-4-40-32(38)22-18-28(23-26-11-7-5-8-12-26)34-33(39)30(24-27-13-9-6-10-14-27)35-31(37)21-17-25-15-19-29(20-16-25)36(2)3/h5-22,28,30H,4,23-24H2,1-3H3,(H,34,39)(H,35,37)/b21-17+,22-18+/t28-,30+/m1/s1 | PDB
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| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429412
(med.21724, Compound 85)Show SMILES O[C@H]([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C34H36N2O6/c37-31(29(21-25-13-5-1-6-14-25)35-33(39)41-23-27-17-9-3-10-18-27)32(38)30(22-26-15-7-2-8-16-26)36-34(40)42-24-28-19-11-4-12-20-28/h1-20,29-32,37-38H,21-24H2,(H,35,39)(H,36,40)/t29-,30-,31+,32+/m0/s1 | PDB
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| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429363
(med.21724, Compound 37)Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)CC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C31H45N3O7/c1-6-40-27(36)13-12-25(17-23-14-15-32-29(23)37)33-30(38)24(16-20(2)3)18-26(35)28(21(4)5)34-31(39)41-19-22-10-8-7-9-11-22/h7-13,20-21,23-25,28H,6,14-19H2,1-5H3,(H,32,37)(H,33,38)(H,34,39)/b13-12+/t23-,24+,25+,28-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM428975
(jm5b01461, Compound 17)Show SMILES CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |w:5.4| Show InChI InChI=1S/C30H44N4O7/c1-6-40-25(35)13-12-23(17-22-14-15-31-27(22)36)32-28(37)24(16-19(2)3)33-29(38)26(20(4)5)34-30(39)41-18-21-10-8-7-9-11-21/h7-13,19-20,22-24,26H,6,14-18H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/b13-12+/t22-,23+,24+,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429351
(acs.jmedchem.1c00409_ST.71 | jm5b01461, Compound 1...)Show InChI InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429355
(acs.jmedchem.1c00409_ST.238 | jm5b01461, Compound ...)Show InChI InChI=1S/2C9H11NS2.Zn/c2*1-2-10(9(11)12)8-6-4-3-5-7-8;/h2*3-7H,2H2,1H3,(H,11,12);/q;;+2/p-2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Tyrosinase
(Homo sapiens (Human)) | BDBM50205815
(CHEMBL3907670)Show InChI InChI=1S/C14H9NO5/c16-9-2-1-3-10-13(9)14(18)11(20-10)6-8-4-5-12(17)15(19)7-8/h1-7,16,19H/b11-6- | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo... |
J Med Chem 61: 7395-7418 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2 |
More data for this
Ligand-Target Pair | |
Tyrosinase
(Homo sapiens (Human)) | BDBM50205815
(CHEMBL3907670)Show InChI InChI=1S/C14H9NO5/c16-9-2-1-3-10-13(9)14(18)11(20-10)6-8-4-5-12(17)15(19)7-8/h1-7,16,19H/b11-6- | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo... |
J Med Chem 61: 7395-7418 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2 |
More data for this
Ligand-Target Pair | |
Tyrosinase
(Homo sapiens (Human)) | BDBM50205806
(CHEMBL3969839)Show InChI InChI=1S/C14H9NO6/c16-8-4-9(17)13-10(5-8)21-11(14(13)19)3-7-1-2-12(18)15(20)6-7/h1-6,16-17,20H/b11-3- | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo... |
J Med Chem 61: 7395-7418 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2 |
More data for this
Ligand-Target Pair | |
Tyrosinase
(Homo sapiens (Human)) | BDBM50205806
(CHEMBL3969839)Show InChI InChI=1S/C14H9NO6/c16-8-4-9(17)13-10(5-8)21-11(14(13)19)3-7-1-2-12(18)15(20)6-7/h1-6,16-17,20H/b11-3- | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plo... |
J Med Chem 61: 7395-7418 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM429356
(jm5b01461, Compound 173)Show InChI InChI=1S/C7H8NS.Zn/c1-5-2-3-7(9)6(8)4-5;/h2-4,8-9H,1H3;/q-1;+2/p-1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
J Med Chem 59: 6595-628 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1 |
More data for this
Ligand-Target Pair | |
Polyphenol oxidase 2
(Agaricus bisporus (Common mushroom)) | BDBM50205814
(CHEMBL3898657)Show InChI InChI=1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,7H | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Competitive inhibition of Agaricus bisporus tyrosinase |
J Med Chem 61: 7395-7418 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2 |
More data for this
Ligand-Target Pair | |
Polyphenol oxidase 2
(Agaricus bisporus (Common mushroom)) | BDBM50205814
(CHEMBL3898657)Show InChI InChI=1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,7H | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Competitive inhibition of Agaricus bisporus tyrosinase |
J Med Chem 61: 7395-7418 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM50480488
(CHEMBL555061 | acs.jmedchem.1c00409_ST.606 | med.2...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CCC(=O)N1CCOCC1)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C29H41F3N4O7/c1-18(2)16-22(34-27(40)24(19(3)4)35-28(41)43-17-20-8-6-5-7-9-20)26(39)33-21(25(38)29(30,31)32)10-11-23(37)36-12-14-42-15-13-36/h5-9,18-19,21-22,24H,10-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
| Assay Description
This is a review article. |
Med Res Rev (2020)
Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6 |
More data for this
Ligand-Target Pair | |
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