Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50010918   

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))	BDBM50543404 (CHEMBL4640154) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3C(F)(F)F)c(=N)oc12 Show InChI InChI=1S/C17H11F3N2O3/c18-17(19,20)11-5-1-2-6-12(11)22-16(24)10-8-9-4-3-7-13(23)14(9)25-15(10)21/h1-8,21,23H,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543398 (CHEMBL4642187) Show SMILES CCc1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N Show InChI InChI=1S/C18H16N2O3/c1-2-11-6-3-4-8-14(11)20-18(22)13-10-12-7-5-9-15(21)16(12)23-17(13)19/h3-10,19,21H,2H2,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543409 (CHEMBL4642852) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c(=N)oc12 Show InChI InChI=1S/C17H11F3N2O3/c18-17(19,20)10-4-6-11(7-5-10)22-16(24)12-8-9-2-1-3-13(23)14(9)25-15(12)21/h1-8,21,23H,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543401 (CHEMBL4644092) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-10-4-6-11(7-5-10)19-16(21)12-8-9-2-1-3-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543399 (CHEMBL4648793) Show SMILES Cc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1 Show InChI InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543402 (CHEMBL4634960) Show SMILES Oc1cccc2cc(C(=O)Nc3cccc(F)c3)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543407 (CHEMBL4641899) Show SMILES CC(C)c1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N Show InChI InChI=1S/C19H18N2O3/c1-11(2)13-7-3-4-8-15(13)21-19(23)14-10-12-6-5-9-16(22)17(12)24-18(14)20/h3-11,20,22H,1-2H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543397 (CHEMBL4646593) Show SMILES CCc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonyl reductase [NADPH] 1 (Homo sapiens (Human))	BDBM50543400 (CHEMBL4640248) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=N)oc12 Show InChI InChI=1S/C16H11ClN2O3/c17-11-5-1-2-6-12(11)19-16(21)10-8-9-4-3-7-13(20)14(9)22-15(10)18/h1-8,18,20H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CBR1 (unknown origin)				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543416 (CHEMBL4639909) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3)c(=N)oc12 Show InChI InChI=1S/C16H12N2O3/c17-15-12(16(20)18-11-6-2-1-3-7-11)9-10-5-4-8-13(19)14(10)21-15/h1-9,17,19H,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543396 (CHEMBL4641012) Show SMILES CCc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1 Show InChI InChI=1S/C18H16N2O3/c1-2-11-6-8-13(9-7-11)20-18(22)14-10-12-4-3-5-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543405 (CHEMBL4639417) Show SMILES Oc1cccc2cc(C(=O)Nc3cccc(Cl)c3)c(=N)oc12 Show InChI InChI=1S/C16H11ClN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543411 (CHEMBL4634140) Show SMILES Oc1cccc2cc(C(=O)Nc3cc(F)c(F)c(F)c3)c(=N)oc12 Show InChI InChI=1S/C16H9F3N2O3/c17-10-5-8(6-11(18)13(10)19)21-16(23)9-4-7-2-1-3-12(22)14(7)24-15(9)20/h1-6,20,22H,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543406 (CHEMBL4637597) Show SMILES CC(C)c1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C19H18N2O3/c1-11(2)12-5-3-7-14(9-12)21-19(23)15-10-13-6-4-8-16(22)17(13)24-18(15)20/h3-11,20,22H,1-2H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543410 (CHEMBL4633866) Show SMILES Oc1cccc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c(=N)oc12 Show InChI InChI=1S/C17H11F3N2O3/c18-17(19,20)10-4-2-5-11(8-10)22-16(24)12-7-9-3-1-6-13(23)14(9)25-15(12)21/h1-8,21,23H,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543414 (CHEMBL4636345) Show SMILES Cc1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N Show InChI InChI=1S/C17H14N2O3/c1-10-5-2-3-7-13(10)19-17(21)12-9-11-6-4-8-14(20)15(11)22-16(12)18/h2-9,18,20H,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543415 (CHEMBL4641799) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)c(=N)oc12 Show InChI InChI=1S/C16H11ClN2O3/c17-10-4-6-11(7-5-10)19-16(21)12-8-9-2-1-3-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543413 (CHEMBL4649502) Show SMILES Cc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C17H14N2O3/c1-10-4-2-6-12(8-10)19-17(21)13-9-11-5-3-7-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543400 (CHEMBL4640248) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=N)oc12 Show InChI InChI=1S/C16H11ClN2O3/c17-11-5-1-2-6-12(11)19-16(21)10-8-9-4-3-7-13(20)14(9)22-15(10)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543408 (CHEMBL4640782) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(cc3C(F)(F)F)C(F)(F)F)c(=N)oc12 Show InChI InChI=1S/C18H10F6N2O3/c19-17(20,21)9-4-5-12(11(7-9)18(22,23)24)26-16(28)10-6-8-2-1-3-13(27)14(8)29-15(10)25/h1-7,25,27H,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50213370 (CHEMBL82085) Show SMILES Oc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C16H12N2O4/c17-15-12(7-9-3-1-6-13(20)14(9)22-15)16(21)18-10-4-2-5-11(19)8-10/h1-8,17,19-20H,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543403 (CHEMBL4642678) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3F)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-11-5-1-2-6-12(11)19-16(21)10-8-9-4-3-7-13(20)14(9)22-15(10)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Carbonyl reductase [NADPH] 1 (Homo sapiens (Human))	BDBM50543404 (CHEMBL4640154) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3C(F)(F)F)c(=N)oc12 Show InChI InChI=1S/C17H11F3N2O3/c18-17(19,20)11-5-1-2-6-12(11)22-16(24)10-8-9-4-3-7-13(23)14(9)25-15(10)21/h1-8,21,23H,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CBR1 (unknown origin)				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Carbonyl reductase [NADPH] 1 (Homo sapiens (Human))	BDBM50543405 (CHEMBL4639417) Show SMILES Oc1cccc2cc(C(=O)Nc3cccc(Cl)c3)c(=N)oc12 Show InChI InChI=1S/C16H11ClN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CBR1 (unknown origin)				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543412 (CHEMBL4648687) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(F)c(F)c3)c(=N)oc12 Show InChI InChI=1S/C16H10F2N2O3/c17-11-5-4-9(7-12(11)18)20-16(22)10-6-8-2-1-3-13(21)14(8)23-15(10)19/h1-7,19,21H,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM35909 (2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...) Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assay				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonyl reductase [NADPH] 1 (Homo sapiens (Human))	BDBM50543397 (CHEMBL4646593) Show SMILES CCc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CBR1 (unknown origin)				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Carbonyl reductase [NADPH] 1 (Homo sapiens (Human))	BDBM50543399 (CHEMBL4648793) Show SMILES Cc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1 Show InChI InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CBR1 (unknown origin)				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543420 (CHEMBL4638008) Show SMILES Oc1cccc2oc(=N)c(cc12)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C16H11FN2O3/c17-9-4-6-10(7-5-9)19-16(21)12-8-11-13(20)2-1-3-14(11)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Carbonyl reductase [NADPH] 1 (Homo sapiens (Human))	BDBM50543402 (CHEMBL4634960) Show SMILES Oc1cccc2cc(C(=O)Nc3cccc(F)c3)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CBR1 (unknown origin)				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Carbonyl reductase [NADPH] 1 (Homo sapiens (Human))	BDBM50543401 (CHEMBL4644092) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-10-4-6-11(7-5-10)19-16(21)12-8-9-2-1-3-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CBR1 (unknown origin)				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50543399 (CHEMBL4648793) Show SMILES Cc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1 Show InChI InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assay				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50543402 (CHEMBL4634960) Show SMILES Oc1cccc2cc(C(=O)Nc3cccc(F)c3)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assay				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50543400 (CHEMBL4640248) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=N)oc12 Show InChI InChI=1S/C16H11ClN2O3/c17-11-5-1-2-6-12(11)19-16(21)10-8-9-4-3-7-13(20)14(9)22-15(10)18/h1-8,18,20H,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assay				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50543396 (CHEMBL4641012) Show SMILES CCc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1 Show InChI InChI=1S/C18H16N2O3/c1-2-11-6-8-13(9-7-11)20-18(22)14-10-12-4-3-5-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assay				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50543403 (CHEMBL4642678) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3F)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-11-5-1-2-6-12(11)19-16(21)10-8-9-4-3-7-13(20)14(9)22-15(10)18/h1-8,18,20H,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assay				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50382163 (CHEMBL2023820) Show SMILES OC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3ccccc23)c1 Show InChI InChI=1S/C17H12N2O4/c20-17(21)11-4-3-5-12(10-11)18-15-8-9-16(19(22)23)14-7-2-1-6-13(14)15/h1-10,18H,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assay				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50543397 (CHEMBL4646593) Show SMILES CCc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assay				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50543401 (CHEMBL4644092) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-10-4-6-11(7-5-10)19-16(21)12-8-9-2-1-3-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C1 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50543401 (CHEMBL4644092) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-10-4-6-11(7-5-10)19-16(21)12-8-9-2-1-3-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assay				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50543398 (CHEMBL4642187) Show SMILES CCc1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N Show InChI InChI=1S/C18H16N2O3/c1-2-11-6-3-4-8-14(11)20-18(22)13-10-12-7-5-9-15(21)16(12)23-17(13)19/h3-10,19,21H,2H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assay				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50543401 (CHEMBL4644092) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-10-4-6-11(7-5-10)19-16(21)12-8-9-2-1-3-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50543402 (CHEMBL4634960) Show SMILES Oc1cccc2cc(C(=O)Nc3cccc(F)c3)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50543404 (CHEMBL4640154) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3C(F)(F)F)c(=N)oc12 Show InChI InChI=1S/C17H11F3N2O3/c18-17(19,20)11-5-1-2-6-12(11)22-16(24)10-8-9-4-3-7-13(23)14(9)25-15(10)21/h1-8,21,23H,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C1 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50543397 (CHEMBL4646593) Show SMILES CCc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C1 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50543399 (CHEMBL4648793) Show SMILES Cc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1 Show InChI InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C1 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50543405 (CHEMBL4639417) Show SMILES Oc1cccc2cc(C(=O)Nc3cccc(Cl)c3)c(=N)oc12 Show InChI InChI=1S/C16H11ClN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C1 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50543400 (CHEMBL4640248) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=N)oc12 Show InChI InChI=1S/C16H11ClN2O3/c17-11-5-1-2-6-12(11)19-16(21)10-8-9-4-3-7-13(20)14(9)22-15(10)18/h1-8,18,20H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C1 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50543402 (CHEMBL4634960) Show SMILES Oc1cccc2cc(C(=O)Nc3cccc(F)c3)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C1 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50213408 (CHEMBL79581) Show SMILES Oc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1 Show InChI InChI=1S/C16H12N2O4/c17-15-12(8-9-2-1-3-13(20)14(9)22-15)16(21)18-10-4-6-11(19)7-5-10/h1-8,17,19-20H,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 66 total )  |  Next  |  Last  >>

Jump to: