Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'burja' and Initial = 'b'   

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 C3 (Homo sapiens (Human))	BDBM50067678 ((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50067678 ((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotome...				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50067678 ((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429341 (CHEMBL2334912) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C/c1ccc(Br)cc1)\C(O)=O Show InChI InChI=1S/C16H13BrO4S/c1-22(20,21)14-8-4-12(5-9-14)15(16(18)19)10-11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429339 (CHEMBL2334914) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C17H16O4S2/c1-22-14-7-3-12(4-8-14)11-16(17(18)19)13-5-9-15(10-6-13)23(2,20)21/h3-11H,1-2H3,(H,18,19)/b16-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50429332 (CHEMBL2334932) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H13ClO2S/c1-20-14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotome...				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50429337 ((E)-2,3-Diphenylacrylic Acid | CHEMBL1980291) Show SMILES OC(=O)C(=C\c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotome...				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429332 (CHEMBL2334932) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H13ClO2S/c1-20-14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50429333 (CHEMBL2334931) Show SMILES CC(=O)NS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H15NO5S/c1-12(19)18-24(22,23)15-9-7-13(8-10-15)11-16(17(20)21)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)(H,20,21)/b16-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotome...				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429349 (CHEMBL2334934) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C/c1ccc(Cl)cc1)\C(O)=O Show InChI InChI=1S/C16H13ClO4S/c1-22(20,21)14-8-4-12(5-9-14)15(16(18)19)10-11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50429334 (CHEMBL2334929) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H14O2S/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotome...				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429346 (CHEMBL2334903) Show SMILES Cc1ccc(\C=C(\C(O)=O)c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C17H16O4S/c1-12-3-5-13(6-4-12)11-16(17(18)19)14-7-9-15(10-8-14)22(2,20)21/h3-11H,1-2H3,(H,18,19)/b16-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429345 (CHEMBL2334904) Show SMILES CCc1ccc(\C=C(\C(O)=O)c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C18H18O4S/c1-3-13-4-6-14(7-5-13)12-17(18(19)20)15-8-10-16(11-9-15)23(2,21)22/h4-12H,3H2,1-2H3,(H,19,20)/b17-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429328 (CHEMBL2334911) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C/c1cccc(Br)c1)\C(O)=O Show InChI InChI=1S/C16H13BrO4S/c1-22(20,21)14-7-5-12(6-8-14)15(16(18)19)10-11-3-2-4-13(17)9-11/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50429331 (CHEMBL2334933) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H13ClO4S/c1-22(20,21)14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotome...				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429348 (CHEMBL2334937) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C/c1cccc(Cl)c1)\C(O)=O Show InChI InChI=1S/C16H13ClO4S/c1-22(20,21)14-7-5-12(6-8-14)15(16(18)19)10-11-3-2-4-13(17)9-11/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429330 (CHEMBL2334935) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C16H13ClO2S/c1-20-14-7-5-11(6-8-14)9-15(16(18)19)12-3-2-4-13(17)10-12/h2-10H,1H3,(H,18,19)/b15-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50429330 (CHEMBL2334935) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C16H13ClO2S/c1-20-14-7-5-11(6-8-14)9-15(16(18)19)12-3-2-4-13(17)10-12/h2-10H,1H3,(H,18,19)/b15-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotome...				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50429329 (CHEMBL2334936) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C16H13ClO4S/c1-22(20,21)14-7-5-11(6-8-14)9-15(16(18)19)12-3-2-4-13(17)10-12/h2-10H,1H3,(H,18,19)/b15-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotome...				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50429330 (CHEMBL2334935) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C16H13ClO2S/c1-20-14-7-5-11(6-8-14)9-15(16(18)19)12-3-2-4-13(17)10-12/h2-10H,1H3,(H,18,19)/b15-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50429329 (CHEMBL2334936) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C16H13ClO4S/c1-22(20,21)14-7-5-11(6-8-14)9-15(16(18)19)12-3-2-4-13(17)10-12/h2-10H,1H3,(H,18,19)/b15-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429340 (CHEMBL2334913) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C/c1ccc(cc1)C(F)(F)F)\C(O)=O Show InChI InChI=1S/C17H13F3O4S/c1-25(23,24)14-8-4-12(5-9-14)15(16(21)22)10-11-2-6-13(7-3-11)17(18,19)20/h2-10H,1H3,(H,21,22)/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50374770 (CHEMBL407035) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C16H13FO4S/c1-22(20,21)14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotome...				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50429335 (CHEMBL2334927) Show SMILES COc1ccc(\C=C(\C(O)=O)c2cccc3ccccc23)cc1OC Show InChI InChI=1S/C21H18O4/c1-24-19-11-10-14(13-20(19)25-2)12-18(21(22)23)17-9-5-7-15-6-3-4-8-16(15)17/h3-13H,1-2H3,(H,22,23)/b18-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50429333 (CHEMBL2334931) Show SMILES CC(=O)NS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H15NO5S/c1-12(19)18-24(22,23)15-9-7-13(8-10-15)11-16(17(20)21)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)(H,20,21)/b16-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50429331 (CHEMBL2334933) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H13ClO4S/c1-22(20,21)14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50429332 (CHEMBL2334932) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H13ClO2S/c1-20-14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429334 (CHEMBL2334929) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H14O2S/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b15-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50374772 (CHEMBL405127) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H14O4S/c1-21(19,20)14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotome...				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429343 (CHEMBL2334908) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C/c1ccc(O)c(O)c1)\C(O)=O Show InChI InChI=1S/C16H14O6S/c1-23(21,22)12-5-3-11(4-6-12)13(16(19)20)8-10-2-7-14(17)15(18)9-10/h2-9,17-18H,1H3,(H,19,20)/b13-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50374772 (CHEMBL405127) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H14O4S/c1-21(19,20)14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429344 (CHEMBL2334905) Show SMILES COc1ccc(\C=C(\C(O)=O)c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C17H16O5S/c1-22-14-7-3-12(4-8-14)11-16(17(18)19)13-5-9-15(10-6-13)23(2,20)21/h3-11H,1-2H3,(H,18,19)/b16-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429351 (CHEMBL2334928) Show SMILES COc1ccc(\C=C(\C(O)=O)c2ccc3ccccc3c2)cc1OC Show InChI InChI=1S/C21H18O4/c1-24-19-10-7-14(12-20(19)25-2)11-18(21(22)23)17-9-8-15-5-3-4-6-16(15)13-17/h3-13H,1-2H3,(H,22,23)/b18-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429342 (CHEMBL2334910) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C/c1cccc(F)c1)\C(O)=O Show InChI InChI=1S/C16H13FO4S/c1-22(20,21)14-7-5-12(6-8-14)15(16(18)19)10-11-3-2-4-13(17)9-11/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50429334 (CHEMBL2334929) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H14O2S/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429347 (CHEMBL2334902) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C/c1ccc(F)cc1)\C(O)=O Show InChI InChI=1S/C16H13FO4S/c1-22(20,21)14-8-4-12(5-9-14)15(16(18)19)10-11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50374770 (CHEMBL407035) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C16H13FO4S/c1-22(20,21)14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429338 (CHEMBL2334915) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C17H16O6S2/c1-24(20,21)14-7-3-12(4-8-14)11-16(17(18)19)13-5-9-15(10-6-13)25(2,22)23/h3-11H,1-2H3,(H,18,19)/b16-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429350 (CHEMBL1682539) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C/c1ccccc1)\C(O)=O Show InChI InChI=1S/C16H14O4S/c1-21(19,20)14-9-7-13(8-10-14)15(16(17)18)11-12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)/b15-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50429328 (CHEMBL2334911) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C/c1cccc(Br)c1)\C(O)=O Show InChI InChI=1S/C16H13BrO4S/c1-22(20,21)14-7-5-12(6-8-14)15(16(18)19)10-11-3-2-4-13(17)9-11/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429329 (CHEMBL2334936) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C16H13ClO4S/c1-22(20,21)14-7-5-11(6-8-14)9-15(16(18)19)12-3-2-4-13(17)10-12/h2-10H,1H3,(H,18,19)/b15-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50429336 (CHEMBL2334921) Show SMILES COc1cc(cc(OC)c1OC)C(=C/c1cccc(F)c1)\C(O)=O Show InChI InChI=1S/C18H17FO5/c1-22-15-9-12(10-16(23-2)17(15)24-3)14(18(20)21)8-11-5-4-6-13(19)7-11/h4-10H,1-3H3,(H,20,21)/b14-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429331 (CHEMBL2334933) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H13ClO4S/c1-22(20,21)14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19)/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429352 (CHEMBL1642214) Show SMILES COc1ccc(\C=C(\C(O)=O)c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C19H20O7/c1-23-15-6-5-11(8-14(15)20)7-13(19(21)22)12-9-16(24-2)18(26-4)17(10-12)25-3/h5-10,20H,1-4H3,(H,21,22)/b13-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50429335 (CHEMBL2334927) Show SMILES COc1ccc(\C=C(\C(O)=O)c2cccc3ccccc23)cc1OC Show InChI InChI=1S/C21H18O4/c1-24-19-11-10-14(13-20(19)25-2)12-18(21(22)23)17-9-5-7-15-6-3-4-8-16(15)17/h3-13H,1-2H3,(H,22,23)/b18-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50374772 (CHEMBL405127) Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H14O4S/c1-21(19,20)14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b15-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair