Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'dhagat' and Initial = 'u'   

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 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	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	MMDB PDB Article PubMed	0.850	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 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	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	MMDB PDB Article PubMed	0.860	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 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	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	MMDB PDB Article PubMed	1.20	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 Leu308Ala 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 (Homo sapiens (Human))	BDBM50330428 (5-Chloro-4-hydroxy-3'-methylbiphenyl-3-carboxylic ...) Show SMILES Cc1cccc(c1)-c1cc(Cl)c(O)c(c1)C(O)=O Show InChI InChI=1S/C14H11ClO3/c1-8-3-2-4-9(5-8)10-6-11(14(17)18)13(16)12(15)7-10/h2-7,16H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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 (docked)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330426 (5-Fluoro-4-hydroxybiphenyl-3-carboxylic acid | CHE...) Show SMILES OC(=O)c1cc(cc(F)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9FO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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 (docked)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	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	MMDB PDB Article PubMed	1.5	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 C2 (Homo sapiens (Human))	BDBM50330426 (5-Fluoro-4-hydroxybiphenyl-3-carboxylic acid | CHE...) Show SMILES OC(=O)c1cc(cc(F)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9FO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	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	MMDB PDB Article PubMed	1.70	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 Competitive inhibition of human recombinant AKR1C1 Leu308Val 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 (Homo sapiens (Human))	BDBM50330432 (5-Chloro-4-hydroxy-4'-isobutylbiphenyl-3-carboxyli...) Show SMILES CC(C)Cc1ccc(cc1)-c1cc(Cl)c(O)c(c1)C(O)=O Show InChI InChI=1S/C17H17ClO3/c1-10(2)7-11-3-5-12(6-4-11)13-8-14(17(20)21)16(19)15(18)9-13/h3-6,8-10,19H,7H2,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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 (docked)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330431 (4'-Butyl-5-chloro-4-hydroxybiphenyl-3-carboxylic a...) Show SMILES CCCCc1ccc(cc1)-c1cc(Cl)c(O)c(c1)C(O)=O Show InChI InChI=1S/C17H17ClO3/c1-2-3-4-11-5-7-12(8-6-11)13-9-14(17(20)21)16(19)15(18)10-13/h5-10,19H,2-4H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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 (docked)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330429 (5-Chloro-4-hydroxy-4'-methylbiphenyl-3-carboxylic ...) Show SMILES Cc1ccc(cc1)-c1cc(Cl)c(O)c(c1)C(O)=O Show InChI InChI=1S/C14H11ClO3/c1-8-2-4-9(5-3-8)10-6-11(14(17)18)13(16)12(15)7-10/h2-7,16H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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 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 (docked)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid | 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4	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 recombinant 20-alpha HSD expressed in Escherichia coli JM109				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 (docked)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid | 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.10	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 (docked)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	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	MMDB PDB Article PubMed	4.80	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 Leu54Val 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 (Homo sapiens (Human))	BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)	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 (Homo sapiens (Human))	BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)	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 (Homo sapiens (Human))	BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)	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 (Homo sapiens (Human))	BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)	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 (Homo sapiens (Human))	BDBM50249792 (3,5-Dibromosalicylic acid | CHEMBL447448) Show SMILES OC(=O)c1cc(Br)cc(Br)c1O Show InChI InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9	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 recombinant 20-alpha HSD expressed in Escherichia coli JM109				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 (docked)
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50330431 (4'-Butyl-5-chloro-4-hydroxybiphenyl-3-carboxylic a...) Show SMILES CCCCc1ccc(cc1)-c1cc(Cl)c(O)c(c1)C(O)=O Show InChI InChI=1S/C17H17ClO3/c1-2-3-4-11-5-7-12(8-6-11)13-9-14(17(20)21)16(19)15(18)10-13/h5-10,19H,2-4H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50330428 (5-Chloro-4-hydroxy-3'-methylbiphenyl-3-carboxylic ...) Show SMILES Cc1cccc(c1)-c1cc(Cl)c(O)c(c1)C(O)=O Show InChI InChI=1S/C14H11ClO3/c1-8-3-2-4-9(5-8)10-6-11(14(17)18)13(16)12(15)7-10/h2-7,16H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	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	MMDB PDB Article PubMed	21	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 C2 (Homo sapiens (Human))	BDBM50330424 (5-Chloro-4-hydroxy-4'-(trifluoromethoxy)biphenyl-3...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C14H8ClF3O4/c15-11-6-8(5-10(12(11)19)13(20)21)7-1-3-9(4-2-7)22-14(16,17)18/h1-6,19H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50330432 (5-Chloro-4-hydroxy-4'-isobutylbiphenyl-3-carboxyli...) Show SMILES CC(C)Cc1ccc(cc1)-c1cc(Cl)c(O)c(c1)C(O)=O Show InChI InChI=1S/C17H17ClO3/c1-10(2)7-11-3-5-12(6-4-11)13-8-14(17(20)21)16(19)15(18)9-13/h3-6,8-10,19H,7H2,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330424 (5-Chloro-4-hydroxy-4'-(trifluoromethoxy)biphenyl-3...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C14H8ClF3O4/c15-11-6-8(5-10(12(11)19)13(20)21)7-1-3-9(4-2-7)22-14(16,17)18/h1-6,19H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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 (docked)
Aldo-keto reductase family 1 member C1 [H222S] (Homo sapiens (Human))	BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)	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 (Homo sapiens (Human))	BDBM50330429 (5-Chloro-4-hydroxy-4'-methylbiphenyl-3-carboxylic ...) Show SMILES Cc1ccc(cc1)-c1cc(Cl)c(O)c(c1)C(O)=O Show InChI InChI=1S/C14H11ClO3/c1-8-2-4-9(5-3-8)10-6-11(14(17)18)13(16)12(15)7-10/h2-7,16H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	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
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330425 (3-chloro-2-hydroxy-5-(phenylethynyl)benzoic acid |...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)C#Cc1ccccc1 Show InChI InChI=1S/C15H9ClO3/c16-13-9-11(8-12(14(13)17)15(18)19)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	64	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 (docked)
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)	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 C1 (Homo sapiens (Human))	BDBM50330427 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	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	MMDB 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 Competitive inhibition of human recombinant AKR1C1 Leu306Ala 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 C2 (Homo sapiens (Human))	BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)	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 C2 (Homo sapiens (Human))	BDBM50249792 (3,5-Dibromosalicylic acid | CHEMBL447448) Show SMILES OC(=O)c1cc(Br)cc(Br)c1O Show InChI InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	82	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 recombinant type 3 3-alpha-HSD expressed in Escherichia coli JM109				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
Aldo-keto reductase family 1 member C1 [L54V] (Homo sapiens (Human))	BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)	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 C2 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid | 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	87	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 recombinant type 3 3-alpha-HSD expressed in Escherichia coli JM109				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
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid | 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	87	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
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50330423 (4'-tert-Butyl-5-chloro-4-hydroxybiphenyl-3-carboxy...) Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(Cl)c(O)c(c1)C(O)=O Show InChI InChI=1S/C17H17ClO3/c1-17(2,3)12-6-4-10(5-7-12)11-8-13(16(20)21)15(19)14(18)9-11/h4-9,19H,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	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 (docked)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50240769 (3-Phenyl-5-bromosalicylic acid | 5-Bromo-2-hydroxy...) Show SMILES OC(=O)c1cc(Br)cc(c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	140	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 recombinant 20-alpha HSD expressed in Escherichia coli JM109				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 (docked)
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50330425 (3-chloro-2-hydroxy-5-(phenylethynyl)benzoic acid |...) Show SMILES OC(=O)c1cc(cc(Cl)c1O)C#Cc1ccccc1 Show InChI InChI=1S/C15H9ClO3/c16-13-9-11(8-12(14(13)17)15(18)19)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	168	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
Aldo-keto reductase family 1 member C1 [L306A] (Homo sapiens (Human))	BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)	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 (Homo sapiens (Human))	BDBM50330430 (5-Chloro-4-hydroxy-4'-(1-methoxyethyl)biphenyl-3-c...) Show SMILES COC(C)c1ccc(cc1)-c1cc(Cl)c(O)c(c1)C(O)=O Show InChI InChI=1S/C16H15ClO4/c1-9(21-2)10-3-5-11(6-4-10)12-7-13(16(19)20)15(18)14(17)8-12/h3-9,18H,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	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 (docked)
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50330423 (4'-tert-Butyl-5-chloro-4-hydroxybiphenyl-3-carboxy...) Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(Cl)c(O)c(c1)C(O)=O Show InChI InChI=1S/C17H17ClO3/c1-17(2,3)12-6-4-10(5-7-12)11-8-13(16(20)21)15(19)14(18)9-11/h4-9,19H,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	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
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50240769 (3-Phenyl-5-bromosalicylic acid | 5-Bromo-2-hydroxy...) Show SMILES OC(=O)c1cc(Br)cc(c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.97E+3	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 recombinant type 3 3-alpha-HSD expressed in Escherichia coli JM109				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
Aldo-keto reductase family 1 member C1 [L308A] (Homo sapiens (Human))	BDBM26269 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...) Show SMILES OC(=O)c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)	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 C2 (Homo sapiens (Human))	BDBM50330430 (5-Chloro-4-hydroxy-4'-(1-methoxyethyl)biphenyl-3-c...) Show SMILES COC(C)c1ccc(cc1)-c1cc(Cl)c(O)c(c1)C(O)=O Show InChI InChI=1S/C16H15ClO4/c1-9(21-2)10-3-5-11(6-4-10)12-7-13(16(19)20)15(18)14(17)8-12/h3-9,18H,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	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
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid | 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	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 recombinant type 2 3-alpha-HSD expressed in Escherichia coli JM109				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
Aldo-keto reductase family 1 member C21 (Mus musculus)	BDBM50038843 ((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...) Show SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1 |r| Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/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	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AKR1C21				Bioorg Med Chem 16: 3245-54 (2008) Article DOI: 10.1016/j.bmc.2007.12.016 BindingDB Entry DOI: 10.7270/Q2PZ59P2
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C21 (Mus musculus)	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AKR1C21				Bioorg Med Chem 16: 3245-54 (2008) Article DOI: 10.1016/j.bmc.2007.12.016 BindingDB Entry DOI: 10.7270/Q2PZ59P2
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C4 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid | 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.82E+4	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 recombinant type 1 3-alpha-HSD expressed in Escherichia coli JM109				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
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50240769 (3-Phenyl-5-bromosalicylic acid | 5-Bromo-2-hydroxy...) Show SMILES OC(=O)c1cc(Br)cc(c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	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 recombinant type 2 3-alpha-HSD expressed in Escherichia coli JM109				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
Aldo-keto reductase family 1 member C21 (Mus musculus)	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AKR1C21				Bioorg Med Chem 16: 3245-54 (2008) Article DOI: 10.1016/j.bmc.2007.12.016 BindingDB Entry DOI: 10.7270/Q2PZ59P2
					More data for this Ligand-Target Pair

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