Found 9 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
(Homo sapiens (Human)) | BDBM16313
(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...)Show InChI InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description Inhibition of AR (unknown origin) |
J Med Chem 58: 2047-67 (2015)
Article DOI: 10.1021/jm500907a BindingDB Entry DOI: 10.7270/Q2D79D4X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B10
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description Inhibition of wild-type N-terminal 6-His tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde redu... |
J Med Chem 58: 2047-67 (2015)
Article DOI: 10.1021/jm500907a BindingDB Entry DOI: 10.7270/Q2D79D4X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B10
(Homo sapiens (Human)) | BDBM50134036
(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description Inhibition of wild-type N-terminal 6-His tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde redu... |
J Med Chem 58: 2047-67 (2015)
Article DOI: 10.1021/jm500907a BindingDB Entry DOI: 10.7270/Q2D79D4X |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B10
(Homo sapiens (Human)) | BDBM13066
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description Inhibition of wild-type N-terminal 6-His tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde redu... |
J Med Chem 58: 2047-67 (2015)
Article DOI: 10.1021/jm500907a BindingDB Entry DOI: 10.7270/Q2D79D4X |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50075050
(Alinia | Nitazoxanide | PH-5776)Show InChI InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 8.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description Inhibition of human AR |
J Med Chem 58: 2047-67 (2015)
Article DOI: 10.1021/jm500907a BindingDB Entry DOI: 10.7270/Q2D79D4X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member A1
(Homo sapiens (Human)) | BDBM16313
(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...)Show InChI InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description Inhibition of ALR1 (unknown origin) |
J Med Chem 58: 2047-67 (2015)
Article DOI: 10.1021/jm500907a BindingDB Entry DOI: 10.7270/Q2D79D4X |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description Inhibition of human AR by fluorescence assay |
J Med Chem 58: 2047-67 (2015)
Article DOI: 10.1021/jm500907a BindingDB Entry DOI: 10.7270/Q2D79D4X |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50134036
(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description Inhibition of human AR by fluorescence assay |
J Med Chem 58: 2047-67 (2015)
Article DOI: 10.1021/jm500907a BindingDB Entry DOI: 10.7270/Q2D79D4X |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM13066
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description Inhibition of human AR by fluorescence assay |
J Med Chem 58: 2047-67 (2015)
Article DOI: 10.1021/jm500907a BindingDB Entry DOI: 10.7270/Q2D79D4X |
More data for this Ligand-Target Pair | |