Found 133 hits with Last Name = 'sacco' and Initial = 'md' 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) | BDBM429328
(ALP-POS-c59291d4-6 | CVD-0006355 | jm5b01461, Comp...)Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cccnc1 Show InChI InChI=1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00509
BindingDB Entry DOI: 10.7270/Q2765KD5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50602444
(CHEMBL5206501)Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00509
BindingDB Entry DOI: 10.7270/Q2765KD5 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM420296
(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)Show SMILES O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM509973
(Advanced SARS-CoV-2 Inhibitor 6j | acs.jmedchem.1c...)Show SMILES CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM509972
(Advanced SARS-CoV-2 Inhibitor 6e | acs.jmedchem.1c...)Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |wU:22.22,24.24,wD:14.14,(-2.6,-5.27,;-1.26,-6.04,;.07,-5.27,;1.41,-6.04,;2.74,-5.27,;2.74,-3.73,;4.07,-2.96,;5.41,-3.73,;5.41,-5.27,;4.07,-6.04,;6.73,-2.93,;8.07,-3.67,;8.1,-5.21,;9.39,-2.88,;10.74,-3.62,;10.77,-5.16,;12.12,-5.91,;12.15,-7.45,;13.44,-5.11,;12.06,-2.83,;12.03,-1.29,;13.41,-3.57,;14.73,-2.78,;14.7,-1.24,;16.01,-.44,;17.41,-1.09,;18.46,.03,;17.72,1.38,;16.2,1.09,;15.08,2.14,;16.07,-3.52,;16.1,-5.06,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM448319
(GC-376 | GC376)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM448319
(GC-376 | GC376)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50200120
(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115826
BindingDB Entry DOI: 10.7270/Q2C2513C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Procathepsin L
(Homo sapiens (Human)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM420298
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)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)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PDB
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM509973
(Advanced SARS-CoV-2 Inhibitor 6j | acs.jmedchem.1c...)Show SMILES CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM420296
(Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...)Show SMILES O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PDB
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM509972
(Advanced SARS-CoV-2 Inhibitor 6e | acs.jmedchem.1c...)Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |wU:22.22,24.24,wD:14.14,(-2.6,-5.27,;-1.26,-6.04,;.07,-5.27,;1.41,-6.04,;2.74,-5.27,;2.74,-3.73,;4.07,-2.96,;5.41,-3.73,;5.41,-5.27,;4.07,-6.04,;6.73,-2.93,;8.07,-3.67,;8.1,-5.21,;9.39,-2.88,;10.74,-3.62,;10.77,-5.16,;12.12,-5.91,;12.15,-7.45,;13.44,-5.11,;12.06,-2.83,;12.03,-1.29,;13.41,-3.57,;14.73,-2.78,;14.7,-1.24,;16.01,-.44,;17.41,-1.09,;18.46,.03,;17.72,1.38,;16.2,1.09,;15.08,2.14,;16.07,-3.52,;16.1,-5.06,)| | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM448319
(GC-376 | GC376)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m0/s1 | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50554708
(CHEMBL4746493)Show SMILES ON(CCc1nnn2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115826
BindingDB Entry DOI: 10.7270/Q2C2513C |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50554707
(CHEMBL4751248)Show SMILES ON(CCn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115826
BindingDB Entry DOI: 10.7270/Q2C2513C |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50554702
(CHEMBL4776055)Show SMILES ON(CCn1ccc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115826
BindingDB Entry DOI: 10.7270/Q2C2513C |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM509983
(Jun9-57-3R)Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)CCl)c1ccc(cc1)-c1ccccc1)c1cnccn1)c1ccccc1 |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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM510003
(Jun9-89-4R)Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)C(Cl)(Br)Br)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50554703
(CHEMBL4798753) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115826
BindingDB Entry DOI: 10.7270/Q2C2513C |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50554700
(CHEMBL4786538)Show SMILES ON(CCn1ncc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115826
BindingDB Entry DOI: 10.7270/Q2C2513C |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM448319
(GC-376 | GC376)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM510005
(Jun9-88-6R)Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)C(Br)(Br)Br)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM509997
(Jun9-89-2R)Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)C(Br)Br)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccc(Br)cc1 |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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | 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
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 | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM509981
(Jun9-59-1)Show SMILES C[C@H](NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1ccccc1)c1cnccn1)c1ccccc1 |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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM420298
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)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)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PDB
UniChem
| Article
PubMed
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50554704
(CHEMBL4755244)Show SMILES ON(CCN1C(=O)Cc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115826
BindingDB Entry DOI: 10.7270/Q2C2513C |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM509980
(Jun9-54-1)Show SMILES C[C@H](NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50602444
(CHEMBL5206501)Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00509
BindingDB Entry DOI: 10.7270/Q2765KD5 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM509985
(Jun9-57-2)Show SMILES ClCC(=O)N(C(C(=O)NC1CC1)c1cccnc1)c1ccc(cc1)-c1ccccc1 | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50554709
(CHEMBL4755307)Show SMILES ON(CCc1nnc2cc(ccn12)C#Cc1ccc(CN2CCOCC2)cc1)C=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115826
BindingDB Entry DOI: 10.7270/Q2C2513C |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50602445
(CHEMBL5207542)Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cnccn1)c1ccccc1 |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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00509
BindingDB Entry DOI: 10.7270/Q2765KD5 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM509993
(Jun9-90-3R)Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)C(Cl)Cl)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccc(Br)cc1 |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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM509986
(Jun9-55-1)Show SMILES ClCC(=O)N(C(C(=O)NC1CCCC1)c1cccnc1)c1ccc(cc1)-c1ccccc1 | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM509982
(Jun9-55-2)Show SMILES ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1ccc(cc1)-c1ccccc1 | 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 | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM509991
(Jun9-62-2R)Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)C(Cl)Cl)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM509995
(Jun9-90-4R)Show SMILES C[C@@H](CCc1ccccc1)NC(=O)[C@H](N(C(=O)C(Cl)Cl)c1ccc(cc1)-c1ccccc1)c1cccnc1 |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 | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
FRET-based enzymatic assay. |
Citation and Details
Article DOI: 10.1021/jacs.1c08060
BindingDB Entry DOI: 10.7270/Q2BK1GHG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50602446
(CHEMBL5178131)Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C1CCCCC1)c1cccnc1)c1ccccc1 |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 | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00509
BindingDB Entry DOI: 10.7270/Q2765KD5 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50602447
(CHEMBL5169554)Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1cccs1)c1cccnc1)c1ccccc1 |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 | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00509
BindingDB Entry DOI: 10.7270/Q2765KD5 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50602448
(CHEMBL5186431)Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |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 | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00509
BindingDB Entry DOI: 10.7270/Q2765KD5 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50602449
(CHEMBL5201613)Show SMILES C[C@H](NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)-c1ccccc1)c1cnccn1)c1ccccc1 |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.1c00509
BindingDB Entry DOI: 10.7270/Q2765KD5 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50602450
(CHEMBL5172431)Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccno1)c1ccc(cc1)C1CCCCC1)c1cccnc1)c1ccccc1 |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 | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00509
BindingDB Entry DOI: 10.7270/Q2765KD5 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50602451
(CHEMBL5189062)Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-n1cccc1)c1cccnc1)c1ccccc1 |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 | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00509
BindingDB Entry DOI: 10.7270/Q2765KD5 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50602452
(CHEMBL5208393)Show SMILES C[C@H](NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |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 | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00509
BindingDB Entry DOI: 10.7270/Q2765KD5 |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50554706
(CHEMBL4761278)Show SMILES ON(CCn1ccc2cc(ncc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115826
BindingDB Entry DOI: 10.7270/Q2C2513C |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50554722
(CHEMBL4776397)Show SMILES CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)-n1ccnc1CO)N(O)C=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115826
BindingDB Entry DOI: 10.7270/Q2C2513C |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50554725
(CHEMBL4780225)Show SMILES CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)N1C[C@H](O)[C@@H](O)C1)N(O)C=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2020.115826
BindingDB Entry DOI: 10.7270/Q2C2513C |
More data for this
Ligand-Target Pair | |
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