Compile Data Set for Download or QSAR

Found 131 hits Enz. Inhib. hit(s) with all data for entry = 50048082   

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))	BDBM50396653 (CHEMBL2172122) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(Br)ccc2C1 Show InChI InChI=1S/C16H14BrNO4S/c17-14-5-4-13-10-18(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)	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	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396653 (CHEMBL2172122) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(Br)ccc2C1 Show InChI InChI=1S/C16H14BrNO4S/c17-14-5-4-13-10-18(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396661 (CHEMBL2172110) Show SMILES CC1Cc2ccccc2CN1S(=O)(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H17NO4S/c1-12-9-13-5-2-3-6-15(13)11-18(12)23(21,22)16-8-4-7-14(10-16)17(19)20/h2-8,10,12H,9,11H2,1H3,(H,19,20)	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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396661 (CHEMBL2172110) Show SMILES CC1Cc2ccccc2CN1S(=O)(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H17NO4S/c1-12-9-13-5-2-3-6-15(13)11-18(12)23(21,22)16-8-4-7-14(10-16)17(19)20/h2-8,10,12H,9,11H2,1H3,(H,19,20)	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	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396695 (CHEMBL2172121) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(Cl)ccc2C1 Show InChI InChI=1S/C16H14ClNO4S/c17-14-5-4-13-10-18(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396695 (CHEMBL2172121) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(Cl)ccc2C1 Show InChI InChI=1S/C16H14ClNO4S/c17-14-5-4-13-10-18(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396694 (CHEMBL2172112) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2[N+]([O-])=O Show InChI InChI=1S/C16H14N2O6S/c19-16(20)11-3-1-5-13(9-11)25(23,24)17-8-7-14-12(10-17)4-2-6-15(14)18(21)22/h1-6,9H,7-8,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396694 (CHEMBL2172112) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2[N+]([O-])=O Show InChI InChI=1S/C16H14N2O6S/c19-16(20)11-3-1-5-13(9-11)25(23,24)17-8-7-14-12(10-17)4-2-6-15(14)18(21)22/h1-6,9H,7-8,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396658 (CHEMBL2172114) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(Br)cccc2C1 Show InChI InChI=1S/C16H14BrNO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396659 (CHEMBL2172113) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(Cl)cccc2C1 Show InChI InChI=1S/C16H14ClNO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396658 (CHEMBL2172114) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(Br)cccc2C1 Show InChI InChI=1S/C16H14BrNO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396659 (CHEMBL2172113) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(Cl)cccc2C1 Show InChI InChI=1S/C16H14ClNO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396692 (CHEMBL2172087) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(Br)cc2C1 Show InChI InChI=1S/C16H14BrNO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396692 (CHEMBL2172087) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(Br)cc2C1 Show InChI InChI=1S/C16H14BrNO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50204068 (CHEMBL3935879) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)C1CCc2ccccc2C1 Show InChI InChI=1S/C17H16O4S/c18-17(19)14-6-3-7-15(11-14)22(20,21)16-9-8-12-4-1-2-5-13(12)10-16/h1-7,11,16H,8-10H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50204068 (CHEMBL3935879) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)C1CCc2ccccc2C1 Show InChI InChI=1S/C17H16O4S/c18-17(19)14-6-3-7-15(11-14)22(20,21)16-9-8-12-4-1-2-5-13(12)10-16/h1-7,11,16H,8-10H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396650 (CHEMBL2172220) Show SMILES Cc1ccc2CCN(Cc2c1)S(=O)(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H17NO4S/c1-12-5-6-13-7-8-18(11-15(13)9-12)23(21,22)16-4-2-3-14(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396650 (CHEMBL2172220) Show SMILES Cc1ccc2CCN(Cc2c1)S(=O)(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H17NO4S/c1-12-5-6-13-7-8-18(11-15(13)9-12)23(21,22)16-4-2-3-14(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396657 (CHEMBL2172115) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(I)cccc2C1 Show InChI InChI=1S/C16H14INO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396657 (CHEMBL2172115) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(I)cccc2C1 Show InChI InChI=1S/C16H14INO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396719 (CHEMBL2172088) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(I)cc2C1 Show InChI InChI=1S/C16H14INO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396722 (CHEMBL2172116) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(O)cccc2C1 Show InChI InChI=1S/C16H15NO5S/c18-15-6-2-4-12-10-17(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9,18H,7-8,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396656 (CHEMBL2172117) Show SMILES COc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H17NO5S/c1-23-16-7-3-5-13-11-18(9-8-15(13)16)24(21,22)14-6-2-4-12(10-14)17(19)20/h2-7,10H,8-9,11H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396722 (CHEMBL2172116) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(O)cccc2C1 Show InChI InChI=1S/C16H15NO5S/c18-15-6-2-4-12-10-17(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9,18H,7-8,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396656 (CHEMBL2172117) Show SMILES COc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H17NO5S/c1-23-16-7-3-5-13-11-18(9-8-15(13)16)24(21,22)14-6-2-4-12(10-14)17(19)20/h2-7,10H,8-9,11H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396655 (CHEMBL2172118) Show SMILES Cc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H17NO4S/c1-12-5-6-15-11-18(8-7-13(15)9-12)23(21,22)16-4-2-3-14(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396646 (CHEMBL2172084) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)[N+]([O-])=O Show InChI InChI=1S/C16H14N2O6S/c19-16(20)12-2-1-3-15(9-12)25(23,24)17-7-6-11-4-5-14(18(21)22)8-13(11)10-17/h1-5,8-9H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396655 (CHEMBL2172118) Show SMILES Cc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H17NO4S/c1-12-5-6-15-11-18(8-7-13(15)9-12)23(21,22)16-4-2-3-14(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396646 (CHEMBL2172084) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)[N+]([O-])=O Show InChI InChI=1S/C16H14N2O6S/c19-16(20)12-2-1-3-15(9-12)25(23,24)17-7-6-11-4-5-14(18(21)22)8-13(11)10-17/h1-5,8-9H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396716 (CHEMBL2172091) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cccc(Cl)c2C1 Show InChI InChI=1S/C16H14ClNO4S/c17-15-6-2-3-11-7-8-18(10-14(11)15)23(21,22)13-5-1-4-12(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396716 (CHEMBL2172091) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cccc(Cl)c2C1 Show InChI InChI=1S/C16H14ClNO4S/c17-15-6-2-3-11-7-8-18(10-14(11)15)23(21,22)13-5-1-4-12(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396644 (CHEMBL2172086) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(Cl)cc2C1 Show InChI InChI=1S/C16H14ClNO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396644 (CHEMBL2172086) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(Cl)cc2C1 Show InChI InChI=1S/C16H14ClNO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396645 (CHEMBL2172085) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(F)cc2C1 Show InChI InChI=1S/C16H14FNO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396645 (CHEMBL2172085) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(F)cc2C1 Show InChI InChI=1S/C16H14FNO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396654 (CHEMBL2172119) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(ccc2C1)[N+]([O-])=O Show InChI InChI=1S/C16H14N2O6S/c19-16(20)12-2-1-3-15(9-12)25(23,24)17-7-6-11-8-14(18(21)22)5-4-13(11)10-17/h1-5,8-9H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396654 (CHEMBL2172119) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(ccc2C1)[N+]([O-])=O Show InChI InChI=1S/C16H14N2O6S/c19-16(20)12-2-1-3-15(9-12)25(23,24)17-7-6-11-8-14(18(21)22)5-4-13(11)10-17/h1-5,8-9H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50204066 (CHEMBL3944826) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)C1CCc2sccc2C1 Show InChI InChI=1S/C15H14O4S2/c16-15(17)11-2-1-3-12(9-11)21(18,19)13-4-5-14-10(8-13)6-7-20-14/h1-3,6-7,9,13H,4-5,8H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50204066 (CHEMBL3944826) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)C1CCc2sccc2C1 Show InChI InChI=1S/C15H14O4S2/c16-15(17)11-2-1-3-12(9-11)21(18,19)13-4-5-14-10(8-13)6-7-20-14/h1-3,6-7,9,13H,4-5,8H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396652 (CHEMBL2172124) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(O)ccc2C1 Show InChI InChI=1S/C16H15NO5S/c18-14-5-4-13-10-17(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9,18H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396652 (CHEMBL2172124) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(O)ccc2C1 Show InChI InChI=1S/C16H15NO5S/c18-14-5-4-13-10-17(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9,18H,6-7,10H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396662 (CHEMBL2172109) Show SMILES CC1N(CCc2ccccc12)S(=O)(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H17NO4S/c1-12-16-8-3-2-5-13(16)9-10-18(12)23(21,22)15-7-4-6-14(11-15)17(19)20/h2-8,11-12H,9-10H2,1H3,(H,19,20)	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396662 (CHEMBL2172109) Show SMILES CC1N(CCc2ccccc12)S(=O)(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H17NO4S/c1-12-16-8-3-2-5-13(16)9-10-18(12)23(21,22)15-7-4-6-14(11-15)17(19)20/h2-8,11-12H,9-10H2,1H3,(H,19,20)	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396721 (CHEMBL2172120) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(ccc2C1)C#N Show InChI InChI=1S/C17H14N2O4S/c18-10-12-4-5-15-11-19(7-6-13(15)8-12)24(22,23)16-3-1-2-14(9-16)17(20)21/h1-5,8-9H,6-7,11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396721 (CHEMBL2172120) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(ccc2C1)C#N Show InChI InChI=1S/C17H14N2O4S/c18-10-12-4-5-15-11-19(7-6-13(15)8-12)24(22,23)16-3-1-2-14(9-16)17(20)21/h1-5,8-9H,6-7,11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396717 (CHEMBL2172090) Show SMILES COc1ccc2CCN(Cc2c1)S(=O)(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H17NO5S/c1-23-15-6-5-12-7-8-18(11-14(12)9-15)24(21,22)16-4-2-3-13(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396717 (CHEMBL2172090) Show SMILES COc1ccc2CCN(Cc2c1)S(=O)(=O)c1cccc(c1)C(O)=O Show InChI InChI=1S/C17H17NO5S/c1-23-15-6-5-12-7-8-18(11-14(12)9-15)24(21,22)16-4-2-3-13(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396690 (CHEMBL2172078) Show SMILES OC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396690 (CHEMBL2172078) Show SMILES OC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396718 (CHEMBL2172089) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)C#N Show InChI InChI=1S/C17H14N2O4S/c18-10-12-4-5-13-6-7-19(11-15(13)8-12)24(22,23)16-3-1-2-14(9-16)17(20)21/h1-5,8-9H,6-7,11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...				Bioorg Med Chem Lett 26: 5631-5638 (2016) Article DOI: 10.1016/j.bmcl.2016.10.073 BindingDB Entry DOI: 10.7270/Q200043M
					More data for this Ligand-Target Pair

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