Found 16 hits with Last Name = 'hilgenfeld' and Initial = 'r' 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
(2019-nCoV) | BDBM420295
(alpha-ketoamide inhibitor 13b | med.21724, Compoun...)Show SMILES CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O Show InChI InChI=1S/C31H39N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-24H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
MCE
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01131
BindingDB Entry DOI: 10.7270/Q26H4NDD |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab [3264-3569]
(Severe acute respiratory syndrome coronavirus 2) | BDBM420283
(alpha-ketoamide inhibitor 11r | med.21724, Compoun...)Show SMILES O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NCc1ccccc1)\C=C\c1ccccc1 Show InChI InChI=1S/C33H40N4O5/c38-29(17-16-23-10-4-1-5-11-23)36-28(20-24-12-6-2-7-13-24)32(41)37-27(21-26-18-19-34-31(26)40)30(39)33(42)35-22-25-14-8-3-9-15-25/h1,3-5,8-11,14-17,24,26-28H,2,6-7,12-13,18-22H2,(H,34,40)(H,35,42)(H,36,38)(H,37,41)/b17-16+/t26-,27-,28-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lubeck
| Assay Description
A fluorescent substrate harboring the cleavage site (indicated by the arrow, ↓) of SARS-CoV-2 Mpro(Dabcyl-KTSAVLQ↓SGFRKM-E(Edans)-NH2; GL... |
Science 368: 409-412 (2020)
Article DOI: 10.1126/science.abb3405
BindingDB Entry DOI: 10.7270/Q2CN7689 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50591204
(CHEMBL5198567)Show SMILES [H][C@@]1(C[C@H](NC(=O)C(CC2CC2)n2cccc(NC(=O)OC(C)(C)C)c2=O)C(=O)C(=O)NCc2ccccc2)CCNC1=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01131
BindingDB Entry DOI: 10.7270/Q26H4NDD |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50591204
(CHEMBL5198567)Show SMILES [H][C@@]1(C[C@H](NC(=O)C(CC2CC2)n2cccc(NC(=O)OC(C)(C)C)c2=O)C(=O)C(=O)NCc2ccccc2)CCNC1=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01131
BindingDB Entry DOI: 10.7270/Q26H4NDD |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab [3264-3569]
(Severe acute respiratory syndrome coronavirus 2) | BDBM420295
(alpha-ketoamide inhibitor 13b | med.21724, Compoun...)Show SMILES CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O Show InChI InChI=1S/C31H39N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-24H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
UniChem
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lubeck
| Assay Description
A fluorescent substrate harboring the cleavage site (indicated by the arrow, ↓) of SARS-CoV-2 Mpro(Dabcyl-KTSAVLQ↓SGFRKM-E(Edans)-NH2; GL... |
Science 368: 409-412 (2020)
Article DOI: 10.1126/science.abb3405
BindingDB Entry DOI: 10.7270/Q2CN7689 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab [3264-3569]
(Severe acute respiratory syndrome coronavirus 2) | BDBM420293
(alpha-ketoamide inhibitor 13a)Show SMILES CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NC2CC2)c1=O Show InChI InChI=1S/C30H43N5O7/c1-30(2,3)42-29(41)34-21-10-7-15-35(28(21)40)23(16-18-8-5-4-6-9-18)26(38)33-22(17-19-13-14-31-25(19)37)24(36)27(39)32-20-11-12-20/h7,10,15,18-20,22-23H,4-6,8-9,11-14,16-17H2,1-3H3,(H,31,37)(H,32,39)(H,33,38)(H,34,41)/t19-,22-,23-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| Article
PubMed
| n/a | n/a | 2.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lubeck
| Assay Description
A fluorescent substrate harboring the cleavage site (indicated by the arrow, ↓) of SARS-CoV-2 Mpro(Dabcyl-KTSAVLQ↓SGFRKM-E(Edans)-NH2; GL... |
Science 368: 409-412 (2020)
Article DOI: 10.1126/science.abb3405
BindingDB Entry DOI: 10.7270/Q2CN7689 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50591203
(CHEMBL5174025)Show SMILES [H][C@@]1(C[C@H](NC(=O)[C@@H](CC2CC2)n2cccc(NC(=O)OC(C)(C)C)c2=O)C(=O)C(=O)NCc2ccccc2)CCNC1=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01131
BindingDB Entry DOI: 10.7270/Q26H4NDD |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50399407
(CHEMBL2178284 | MUT056399)Show InChI InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 3.82E+4 | n/a | n/a | n/a | n/a |
Center for Free-Electron Laser Science
| Assay Description
Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.11.12.378422
BindingDB Entry DOI: 10.7270/Q2B85C55 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM31090
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| n/a | n/a | n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a |
Center for Free-Electron Laser Science
| Assay Description
Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.11.12.378422
BindingDB Entry DOI: 10.7270/Q2B85C55 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50083351
((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...)Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| n/a | n/a | n/a | n/a | 3.93E+4 | n/a | n/a | n/a | n/a |
Center for Free-Electron Laser Science
| Assay Description
Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.11.12.378422
BindingDB Entry DOI: 10.7270/Q2B85C55 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM442751
(Triglycidyl isocyanurate)Show InChI InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Center for Free-Electron Laser Science
| Assay Description
Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.11.12.378422
BindingDB Entry DOI: 10.7270/Q2B85C55 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM24654
(4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-...)Show SMILES Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| n/a | n/a | n/a | n/a | 2.52E+4 | n/a | n/a | n/a | n/a |
Center for Free-Electron Laser Science
| Assay Description
Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.11.12.378422
BindingDB Entry DOI: 10.7270/Q2B85C55 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM442750
(Isofloxythepin)Show SMILES CC(C)c1ccc2Sc3cc(F)ccc3CC(N3CCN(CCO)CC3)c2c1 Show InChI InChI=1S/C23H29FN2OS/c1-16(2)17-4-6-22-20(13-17)21(26-9-7-25(8-10-26)11-12-27)14-18-3-5-19(24)15-23(18)28-22/h3-6,13,15-16,21,27H,7-12,14H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| n/a | n/a | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a |
Center for Free-Electron Laser Science
| Assay Description
Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.11.12.378422
BindingDB Entry DOI: 10.7270/Q2B85C55 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM442744
(Tolperisone)Show InChI InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
| n/a | n/a | n/a | n/a | 1.92E+4 | n/a | n/a | n/a | n/a |
Center for Free-Electron Laser Science
| Assay Description
Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.11.12.378422
BindingDB Entry DOI: 10.7270/Q2B85C55 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50084655
(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | n/a | n/a | <1.56E+3 | n/a | n/a | n/a | n/a |
Center for Free-Electron Laser Science
| Assay Description
Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.11.12.378422
BindingDB Entry DOI: 10.7270/Q2B85C55 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM442799
(RS102859)Show SMILES FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc2ccccc32)cc1 Show InChI InChI=1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
| n/a | n/a | n/a | n/a | 1.98E+4 | n/a | n/a | n/a | n/a |
Center for Free-Electron Laser Science
| Assay Description
Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.11.12.378422
BindingDB Entry DOI: 10.7270/Q2B85C55 |
More data for this
Ligand-Target Pair | |
Search and Browse
