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 C1 (322/323 > 99%)† (Homo sapiens (Human)) | BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 5.90 | -47.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Monash University | Assay Description The activity was assayed by measuring the rate of change in NADPH fluorescence (at 455 nm with an excitation wavelength of 340 nm) at 298 K. When the... | J Med Chem 51: 4844-8 (2008) Article DOI: 10.1021/jm8003575 BindingDB Entry DOI: 10.7270/Q2MG7MTW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C1 (322/323 > 99%)† (Homo sapiens (Human)) | BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus) Curated by ChEMBL | Assay Description Inhibition of human wild type AKR1C1 dehydrogenase activity by fluorometric assay | Eur J Med Chem 45: 5309-17 (2010) Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C1 (322/323 > 99%)† (Homo sapiens (Human)) | BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus) Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant AKR1C1 Phe311Ala mutant by fluorescence assay | Bioorg Med Chem Lett 21: 2564-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C1 (322/323 > 99%)† (Homo sapiens (Human)) | BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus) Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant AKR1C1 Phe311Leu mutant by fluorescence assay | Bioorg Med Chem Lett 21: 2564-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C1 [H222S] (321/323 > 99%)† (Homo sapiens (Human)) | BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 58 | -41.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Monash University | Assay Description The activity was assayed by measuring the rate of change in NADPH fluorescence (at 455 nm with an excitation wavelength of 340 nm) at 298 K. When the... | J Med Chem 51: 4844-8 (2008) Article DOI: 10.1021/jm8003575 BindingDB Entry DOI: 10.7270/Q2MG7MTW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C2 (315/323 = 98%)† (Homo sapiens (Human)) | BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 70 | -40.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Monash University | Assay Description The activity was assayed by measuring the rate of change in NADPH fluorescence (at 455 nm with an excitation wavelength of 340 nm) at 298 K. When the... | J Med Chem 51: 4844-8 (2008) Article DOI: 10.1021/jm8003575 BindingDB Entry DOI: 10.7270/Q2MG7MTW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C2 (315/323 = 98%)† (Homo sapiens (Human)) | BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus) Curated by ChEMBL | Assay Description Inhibition of human AKR1C2 dehydrogenase activity by fluorometric assay | Eur J Med Chem 45: 5309-17 (2010) Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C1 [L54V] (321/323 > 99%)† (Homo sapiens (Human)) | BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 85 | -40.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Monash University | Assay Description The activity was assayed by measuring the rate of change in NADPH fluorescence (at 455 nm with an excitation wavelength of 340 nm) at 298 K. When the... | J Med Chem 51: 4844-8 (2008) Article DOI: 10.1021/jm8003575 BindingDB Entry DOI: 10.7270/Q2MG7MTW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C1 [L306A] (321/323 > 99%)† (Homo sapiens (Human)) | BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 270 | -37.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Monash University | Assay Description The activity was assayed by measuring the rate of change in NADPH fluorescence (at 455 nm with an excitation wavelength of 340 nm) at 298 K. When the... | J Med Chem 51: 4844-8 (2008) Article DOI: 10.1021/jm8003575 BindingDB Entry DOI: 10.7270/Q2MG7MTW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C1 [L308A] (322/323 > 99%)† (Homo sapiens (Human)) | BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.80E+3 | -31.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Monash University | Assay Description The activity was assayed by measuring the rate of change in NADPH fluorescence (at 455 nm with an excitation wavelength of 340 nm) at 298 K. When the... | J Med Chem 51: 4844-8 (2008) Article DOI: 10.1021/jm8003575 BindingDB Entry DOI: 10.7270/Q2MG7MTW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C3 (284/323 = 88%)† (Homo sapiens (Human)) | BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 9.40E+4 | -23.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Monash University | Assay Description The activity was assayed by measuring the rate of change in NADPH fluorescence (at 455 nm with an excitation wavelength of 340 nm) at 298 K. When the... | J Med Chem 51: 4844-8 (2008) Article DOI: 10.1021/jm8003575 BindingDB Entry DOI: 10.7270/Q2MG7MTW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C1 (322/323 > 99%)† (Homo sapiens (Human)) | BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus) Curated by ChEMBL | Assay Description Inhibition of 20-alpha HSD (unknown origin) | J Med Chem 52: 3259-64 (2009) Article DOI: 10.1021/jm9001633 BindingDB Entry DOI: 10.7270/Q2765F6T | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |