Found 12 hits with Last Name = 'chung' and Initial = 'hs' 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 |
|---|
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50483252
(CHEMBL1643369)Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccc(N)cc1)C(=O)NO |r| Show InChI InChI=1S/C21H19N3O4/c1-14(25)19(21(27)24-28)23-20(26)17-10-6-15(7-11-17)4-2-3-5-16-8-12-18(22)13-9-16/h6-14,19,25,28H,22H2,1H3,(H,23,26)(H,24,27)/t14-,19+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jilin University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC |
Bioorg Med Chem 19: 852-60 (2011)
Article DOI: 10.1016/j.bmc.2010.12.017
BindingDB Entry DOI: 10.7270/Q2DV1NQM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50483252
(CHEMBL1643369)Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccc(N)cc1)C(=O)NO |r| Show InChI InChI=1S/C21H19N3O4/c1-14(25)19(21(27)24-28)23-20(26)17-10-6-15(7-11-17)4-2-3-5-16-8-12-18(22)13-9-16/h6-14,19,25,28H,22H2,1H3,(H,23,26)(H,24,27)/t14-,19+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jilin University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC |
Bioorg Med Chem 19: 852-60 (2011)
Article DOI: 10.1016/j.bmc.2010.12.017
BindingDB Entry DOI: 10.7270/Q2DV1NQM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM92267
(CS257)Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-15(24)19(21(26)23-27)22-20(25)18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24,27H,1H3,(H,22,25)(H,23,26)/t15-,19+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jilin University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC |
Bioorg Med Chem 19: 852-60 (2011)
Article DOI: 10.1016/j.bmc.2010.12.017
BindingDB Entry DOI: 10.7270/Q2DV1NQM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM92267
(CS257)Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-15(24)19(21(26)23-27)22-20(25)18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24,27H,1H3,(H,22,25)(H,23,26)/t15-,19+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jilin University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC |
Bioorg Med Chem 19: 852-60 (2011)
Article DOI: 10.1016/j.bmc.2010.12.017
BindingDB Entry DOI: 10.7270/Q2DV1NQM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldehyde dehydrogenase, cytosolic 1
(Rattus norvegicus) | BDBM50292380
(10'-D-glucopyranosyl-1,8,1',8'-tetrahydroxy-3,3'-b...)Show SMILES OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1(c2ccc3C(=O)c4cc(CO)cc(O)c4C(=O)c3c2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r| Show InChI InChI=1S/C36H30O14/c37-10-13-6-16-24(21(41)8-13)31(46)25-15(28(16)43)4-5-18(29(25)44)36(35-34(49)33(48)30(45)23(12-39)50-35)17-2-1-3-20(40)26(17)32(47)27-19(36)7-14(11-38)9-22(27)42/h1-9,23,30,33-35,37-42,44-45,48-49H,10-12H2/t23-,30-,33+,34-,35?,36?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat cytosolic aldehyde dehydrogenase |
J Nat Prod 60: 1180-1182 (1997)
Article DOI: 10.1021/np9703104
BindingDB Entry DOI: 10.7270/Q2DR2VHR |
More data for this
Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Rattus norvegicus) | BDBM50292380
(10'-D-glucopyranosyl-1,8,1',8'-tetrahydroxy-3,3'-b...)Show SMILES OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1(c2ccc3C(=O)c4cc(CO)cc(O)c4C(=O)c3c2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r| Show InChI InChI=1S/C36H30O14/c37-10-13-6-16-24(21(41)8-13)31(46)25-15(28(16)43)4-5-18(29(25)44)36(35-34(49)33(48)30(45)23(12-39)50-35)17-2-1-3-20(40)26(17)32(47)27-19(36)7-14(11-38)9-22(27)42/h1-9,23,30,33-35,37-42,44-45,48-49H,10-12H2/t23-,30-,33+,34-,35?,36?/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat mitochondrial aldehyde dehydrogenase |
J Nat Prod 60: 1180-1182 (1997)
Article DOI: 10.1021/np9703104
BindingDB Entry DOI: 10.7270/Q2DR2VHR |
More data for this
Ligand-Target Pair | |
Aldehyde dehydrogenase, cytosolic 1
(Rattus norvegicus) | BDBM50292380
(10'-D-glucopyranosyl-1,8,1',8'-tetrahydroxy-3,3'-b...)Show SMILES OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1(c2ccc3C(=O)c4cc(CO)cc(O)c4C(=O)c3c2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r| Show InChI InChI=1S/C36H30O14/c37-10-13-6-16-24(21(41)8-13)31(46)25-15(28(16)43)4-5-18(29(25)44)36(35-34(49)33(48)30(45)23(12-39)50-35)17-2-1-3-20(40)26(17)32(47)27-19(36)7-14(11-38)9-22(27)42/h1-9,23,30,33-35,37-42,44-45,48-49H,10-12H2/t23-,30-,33+,34-,35?,36?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat cytosolic aldehyde dehydrogenase |
J Nat Prod 60: 1180-1182 (1997)
Article DOI: 10.1021/np9703104
BindingDB Entry DOI: 10.7270/Q2DR2VHR |
More data for this
Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Rattus norvegicus) | BDBM50292380
(10'-D-glucopyranosyl-1,8,1',8'-tetrahydroxy-3,3'-b...)Show SMILES OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1(c2ccc3C(=O)c4cc(CO)cc(O)c4C(=O)c3c2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r| Show InChI InChI=1S/C36H30O14/c37-10-13-6-16-24(21(41)8-13)31(46)25-15(28(16)43)4-5-18(29(25)44)36(35-34(49)33(48)30(45)23(12-39)50-35)17-2-1-3-20(40)26(17)32(47)27-19(36)7-14(11-38)9-22(27)42/h1-9,23,30,33-35,37-42,44-45,48-49H,10-12H2/t23-,30-,33+,34-,35?,36?/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat mitochondrial aldehyde dehydrogenase |
J Nat Prod 60: 1180-1182 (1997)
Article DOI: 10.1021/np9703104
BindingDB Entry DOI: 10.7270/Q2DR2VHR |
More data for this
Ligand-Target Pair | |
Aldehyde dehydrogenase, mitochondrial
(Rattus norvegicus) | BDBM50172756
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
| Article
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat mitochondrial aldehyde dehydrogenase |
J Nat Prod 60: 1180-1182 (1997)
Article DOI: 10.1021/np9703104
BindingDB Entry DOI: 10.7270/Q2DR2VHR |
More data for this
Ligand-Target Pair | |
Aldehyde dehydrogenase, cytosolic 1
(Rattus norvegicus) | BDBM50085551
(1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...)Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2 | PDB
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CHEMBL
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PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat cytosolic aldehyde dehydrogenase |
J Nat Prod 60: 1180-1182 (1997)
Article DOI: 10.1021/np9703104
BindingDB Entry DOI: 10.7270/Q2DR2VHR |
More data for this
Ligand-Target Pair | |
Aldehyde dehydrogenase, cytosolic 1
(Rattus norvegicus) | BDBM50292381
(CHEMBL518845 | aloenin)Show SMILES COc1cc(oc(=O)c1)-c1c(C)cc(O)cc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H22O10/c1-8-3-9(21)4-11(15(8)12-5-10(26-2)6-14(22)27-12)28-19-18(25)17(24)16(23)13(7-20)29-19/h3-6,13,16-21,23-25H,7H2,1-2H3/t13-,16+,17-,18+,19+/m0/s1 | PDB
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CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat cytosolic aldehyde dehydrogenase |
J Nat Prod 60: 1180-1182 (1997)
Article DOI: 10.1021/np9703104
BindingDB Entry DOI: 10.7270/Q2DR2VHR |
More data for this
Ligand-Target Pair | |
Aldehyde dehydrogenase, cytosolic 1
(Rattus norvegicus) | BDBM50172756
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3 | PDB
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| Purchase
CHEMBL
DrugBank
MCE
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PC cid
PC sid
UniChem
Patents
| Article
| n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat cytosolic aldehyde dehydrogenase |
J Nat Prod 60: 1180-1182 (1997)
Article DOI: 10.1021/np9703104
BindingDB Entry DOI: 10.7270/Q2DR2VHR |
More data for this
Ligand-Target Pair | |
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