Found 32 hits of Enzyme Inhibition Constant Data 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 |
|---|
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM16312
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of rat lens ALR2 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50330615
(4-Amino-N-(4-bromo-2-fluorobenzyl)-N-(3,5-difluoro...)Show SMILES Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1F)c1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C19H14BrF3N2O3S/c20-12-2-1-11(16(21)7-12)10-25(14-8-17(22)19(26)18(23)9-14)29(27,28)15-5-3-13(24)4-6-15/h1-9,26H,10,24H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 323 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50330615
(4-Amino-N-(4-bromo-2-fluorobenzyl)-N-(3,5-difluoro...)Show SMILES Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1F)c1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C19H14BrF3N2O3S/c20-12-2-1-11(16(21)7-12)10-25(14-8-17(22)19(26)18(23)9-14)29(27,28)15-5-3-13(24)4-6-15/h1-9,26H,10,24H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 397 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50330613
(CHEMBL1277386 | N-(4-Bromo-2-fluorobenzyl)-N-(3,5-...)Show SMILES Oc1c(F)cc(cc1F)N(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H13BrF3NO3S/c20-13-7-6-12(16(21)8-13)11-24(14-9-17(22)19(25)18(23)10-14)28(26,27)15-4-2-1-3-5-15/h1-10,25H,11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50330610
(CHEMBL1277203 | N-(4-(N-(3,5-Difluoro-4-hydroxyphe...)Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1F Show InChI InChI=1S/C19H14F2N2O4S/c20-16-10-14(11-17(21)18(16)24)23-28(26,27)15-8-6-13(7-9-15)22-19(25)12-4-2-1-3-5-12/h1-11,23-24H,(H,22,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50330610
(CHEMBL1277203 | N-(4-(N-(3,5-Difluoro-4-hydroxyphe...)Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1F Show InChI InChI=1S/C19H14F2N2O4S/c20-16-10-14(11-17(21)18(16)24)23-28(26,27)15-8-6-13(7-9-15)22-19(25)12-4-2-1-3-5-12/h1-11,23-24H,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50330614
(CHEMBL1277387 | N-(4-Bromo-2-fluorobenzyl)-N-(3,5-...)Show SMILES Oc1c(F)cc(cc1F)N(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H12BrF3N2O5S/c20-12-2-1-11(16(21)7-12)10-24(14-8-17(22)19(26)18(23)9-14)31(29,30)15-5-3-13(4-6-15)25(27)28/h1-9,26H,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50330616
(CHEMBL1277477 | N-(3,5-Difluoro-4-hydroxyphenyl)-N...)Show SMILES Oc1c(F)cc(cc1F)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H13F2NO5S2/c19-16-11-13(12-17(20)18(16)22)21(27(23,24)14-7-3-1-4-8-14)28(25,26)15-9-5-2-6-10-15/h1-12,22H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50251025
(4-Amino-N-(3,5-difluoro-4-hydroxyphenyl)benzenesul...)Show InChI InChI=1S/C12H10F2N2O3S/c13-10-5-8(6-11(14)12(10)17)16-20(18,19)9-3-1-7(15)2-4-9/h1-6,16-17H,15H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50330613
(CHEMBL1277386 | N-(4-Bromo-2-fluorobenzyl)-N-(3,5-...)Show SMILES Oc1c(F)cc(cc1F)N(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H13BrF3NO3S/c20-13-7-6-12(16(21)8-13)11-24(14-9-17(22)19(25)18(23)10-14)28(26,27)15-4-2-1-3-5-15/h1-10,25H,11H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50330611
(CHEMBL1277297 | N-(4-(N-(3,5-Difluoro-4-hydroxyphe...)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C20H16F2N2O5S/c1-29-15-6-2-12(3-7-15)20(26)23-13-4-8-16(9-5-13)30(27,28)24-14-10-17(21)19(25)18(22)11-14/h2-11,24-25H,1H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50330611
(CHEMBL1277297 | N-(4-(N-(3,5-Difluoro-4-hydroxyphe...)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C20H16F2N2O5S/c1-29-15-6-2-12(3-7-15)20(26)23-13-4-8-16(9-5-13)30(27,28)24-14-10-17(21)19(25)18(22)11-14/h2-11,24-25H,1H3,(H,23,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50251025
(4-Amino-N-(3,5-difluoro-4-hydroxyphenyl)benzenesul...)Show InChI InChI=1S/C12H10F2N2O3S/c13-10-5-8(6-11(14)12(10)17)16-20(18,19)9-3-1-7(15)2-4-9/h1-6,16-17H,15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50330614
(CHEMBL1277387 | N-(4-Bromo-2-fluorobenzyl)-N-(3,5-...)Show SMILES Oc1c(F)cc(cc1F)N(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H12BrF3N2O5S/c20-12-2-1-11(16(21)7-12)10-24(14-8-17(22)19(26)18(23)9-14)31(29,30)15-5-3-13(4-6-15)25(27)28/h1-9,26H,10H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50251030
(CHEMBL458588 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...)Show InChI InChI=1S/C13H11F2NO4S/c1-20-9-2-4-10(5-3-9)21(18,19)16-8-6-11(14)13(17)12(15)7-8/h2-7,16-17H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50251023
(CHEMBL458568 | N-(3,5-Difluoro-4-hydroxyphenyl)ben...)Show InChI InChI=1S/C12H9F2NO3S/c13-10-6-8(7-11(14)12(10)16)15-19(17,18)9-4-2-1-3-5-9/h1-7,15-16H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50251030
(CHEMBL458588 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...)Show InChI InChI=1S/C13H11F2NO4S/c1-20-9-2-4-10(5-3-9)21(18,19)16-8-6-11(14)13(17)12(15)7-8/h2-7,16-17H,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50330612
(CHEMBL1277298 | N-(3,5-Difluoro-4-hydroxyphenyl)-4...)Show SMILES CCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C15H15F2N3O4S/c1-2-18-15(22)19-9-3-5-11(6-4-9)25(23,24)20-10-7-12(16)14(21)13(17)8-10/h3-8,20-21H,2H2,1H3,(H2,18,19,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50330616
(CHEMBL1277477 | N-(3,5-Difluoro-4-hydroxyphenyl)-N...)Show SMILES Oc1c(F)cc(cc1F)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H13F2NO5S2/c19-16-11-13(12-17(20)18(16)22)21(27(23,24)14-7-3-1-4-8-14)28(25,26)15-9-5-2-6-10-15/h1-12,22H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50251023
(CHEMBL458568 | N-(3,5-Difluoro-4-hydroxyphenyl)ben...)Show InChI InChI=1S/C12H9F2NO3S/c13-10-6-8(7-11(14)12(10)16)15-19(17,18)9-4-2-1-3-5-9/h1-7,15-16H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50330612
(CHEMBL1277298 | N-(3,5-Difluoro-4-hydroxyphenyl)-4...)Show SMILES CCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C15H15F2N3O4S/c1-2-18-15(22)19-9-3-5-11(6-4-9)25(23,24)20-10-7-12(16)14(21)13(17)8-10/h3-8,20-21H,2H2,1H3,(H2,18,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50251024
(CHEMBL457486 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...)Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1F Show InChI InChI=1S/C12H8F2N2O5S/c13-10-5-7(6-11(14)12(10)17)15-22(20,21)9-3-1-8(2-4-9)16(18)19/h1-6,15,17H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Homo sapiens (Human)) | BDBM50003616
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50003616
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50330609
(CHEMBL1277202 | N-(3,5-Difluoro-4-hydroxyphenyl)-4...)Show InChI InChI=1S/C16H16F2N2O3S/c17-14-9-11(10-15(18)16(14)21)19-24(22,23)13-5-3-12(4-6-13)20-7-1-2-8-20/h3-6,9-10,19,21H,1-2,7-8H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50330617
((S)-N-(3-Oxoisoxazolidin-4-yl)benzenesulfonamide |...)Show InChI InChI=1S/C9H10N2O4S/c12-9-8(6-15-10-9)11-16(13,14)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,10,12)/t8-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50016561
(2-(phenylsulfonamido)acetic acid | Benzenesulfonyl...)Show InChI InChI=1S/C8H9NO4S/c10-8(11)6-9-14(12,13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50330608
(CHEMBL1277113 | N-(3,5-Difluoro-4-hydroxyphenyl)-4...)Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1F Show InChI InChI=1S/C13H8F5NO3S/c14-10-5-8(6-11(15)12(10)20)19-23(21,22)9-3-1-7(2-4-9)13(16,17)18/h1-6,19-20H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat lens ALR2 by least-square analysis |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50330608
(CHEMBL1277113 | N-(3,5-Difluoro-4-hydroxyphenyl)-4...)Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1F Show InChI InChI=1S/C13H8F5NO3S/c14-10-5-8(6-11(15)12(10)20)19-23(21,22)9-3-1-7(2-4-9)13(16,17)18/h1-6,19-20H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50251024
(CHEMBL457486 | N-(3,5-Difluoro-4-hydroxyphenyl)-4-...)Show SMILES Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1F Show InChI InChI=1S/C12H8F2N2O5S/c13-10-5-7(6-11(14)12(10)17)15-22(20,21)9-3-1-8(2-4-9)16(18)19/h1-6,15,17H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50016561
(2-(phenylsulfonamido)acetic acid | Benzenesulfonyl...)Show InChI InChI=1S/C8H9NO4S/c10-8(11)6-9-14(12,13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.34E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of rat lens ALR2 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member A1
(Rattus norvegicus) | BDBM50330609
(CHEMBL1277202 | N-(3,5-Difluoro-4-hydroxyphenyl)-4...)Show InChI InChI=1S/C16H16F2N2O3S/c17-14-9-11(10-15(18)16(14)21)19-24(22,23)13-5-3-12(4-6-13)20-7-1-2-8-20/h3-6,9-10,19,21H,1-2,7-8H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.81E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description
Inhibition of Fischer-344 rat kidney AK1A1 |
J Med Chem 53: 7756-66 (2010)
Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM |
More data for this
Ligand-Target Pair | |
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