Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for entry = 50040559   

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
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396085 (CHEMBL2170762) Show SMILES Oc1ccc2nc(sc2c1)C(=O)c1cccc(O)c1F Show InChI InChI=1S/C14H8FNO3S/c15-12-8(2-1-3-10(12)18)13(19)14-16-9-5-4-7(17)6-11(9)20-14/h1-6,17-18H	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396084 (CHEMBL2170750) Show SMILES Oc1ccc2nc(sc2c1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C14H8FNO3S/c15-9-3-1-7(5-11(9)18)13(19)14-16-10-4-2-8(17)6-12(10)20-14/h1-6,17-18H	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addit...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396087 (CHEMBL2170747) Show SMILES Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2c1 Show InChI InChI=1S/C14H8F2N2O3S/c15-7-2-4-9(20)12(16)11(7)13(21)18-14-17-8-3-1-6(19)5-10(8)22-14/h1-5,19-20H,(H,17,18,21)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396081 (CHEMBL2170753) Show SMILES Oc1ccc(F)c(c1)C(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H8FNO3S/c15-10-3-1-7(17)5-9(10)13(19)14-16-11-4-2-8(18)6-12(11)20-14/h1-6,17-18H	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396084 (CHEMBL2170750) Show SMILES Oc1ccc2nc(sc2c1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C14H8FNO3S/c15-9-3-1-7(5-11(9)18)13(19)14-16-10-4-2-8(17)6-12(10)20-14/h1-6,17-18H	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396080 (CHEMBL2170754) Show SMILES Cc1ccc(cc1O)C(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C15H11NO3S/c1-8-2-3-9(6-12(8)18)14(19)15-16-11-5-4-10(17)7-13(11)20-15/h2-7,17-18H,1H3	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396089 (CHEMBL2170759) Show SMILES Oc1ccc2nc(NC(=O)c3cccc(O)c3F)sc2c1 Show InChI InChI=1S/C14H9FN2O3S/c15-12-8(2-1-3-10(12)19)13(20)17-14-16-9-5-4-7(18)6-11(9)21-14/h1-6,18-19H,(H,16,17,20)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396087 (CHEMBL2170747) Show SMILES Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2c1 Show InChI InChI=1S/C14H8F2N2O3S/c15-7-2-4-9(20)12(16)11(7)13(21)18-14-17-8-3-1-6(19)5-10(8)22-14/h1-5,19-20H,(H,17,18,21)	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	37	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addit...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396083 (CHEMBL2170751) Show SMILES COc1ccc2nc(sc2c1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C15H10FNO3S/c1-20-9-3-5-11-13(7-9)21-15(17-11)14(19)8-2-4-10(16)12(18)6-8/h2-7,18H,1H3	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	38	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396086 (CHEMBL2170761) Show SMILES Oc1cccc(c1)C(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H9NO3S/c16-9-3-1-2-8(6-9)13(18)14-15-11-5-4-10(17)7-12(11)19-14/h1-7,16-17H	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	44	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396083 (CHEMBL2170751) Show SMILES COc1ccc2nc(sc2c1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C15H10FNO3S/c1-20-9-3-5-11-13(7-9)21-15(17-11)14(19)8-2-4-10(16)12(18)6-8/h2-7,18H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396089 (CHEMBL2170759) Show SMILES Oc1ccc2nc(NC(=O)c3cccc(O)c3F)sc2c1 Show InChI InChI=1S/C14H9FN2O3S/c15-12-8(2-1-3-10(12)19)13(20)17-14-16-9-5-4-7(18)6-11(9)21-14/h1-6,18-19H,(H,16,17,20)	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	73	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addit...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396079 (CHEMBL2170755) Show SMILES Oc1ccc(O)c(c1)C(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H9NO4S/c16-7-2-4-11(18)9(5-7)13(19)14-15-10-3-1-8(17)6-12(10)20-14/h1-6,16-18H	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	78	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396085 (CHEMBL2170762) Show SMILES Oc1ccc2nc(sc2c1)C(=O)c1cccc(O)c1F Show InChI InChI=1S/C14H8FNO3S/c15-12-8(2-1-3-10(12)18)13(19)14-16-9-5-4-7(17)6-11(9)20-14/h1-6,17-18H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396092 (CHEMBL2170748) Show SMILES Oc1ccc2nc(NC(=O)c3ccc(F)c(O)c3F)sc2c1 Show InChI InChI=1S/C14H8F2N2O3S/c15-8-3-2-7(11(16)12(8)20)13(21)18-14-17-9-4-1-6(19)5-10(9)22-14/h1-5,19-20H,(H,17,18,21)	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	99	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396082 (CHEMBL2170752) Show SMILES Oc1cc(ccc1F)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C14H8FNO2S/c15-9-6-5-8(7-11(9)17)13(18)14-16-10-3-1-2-4-12(10)19-14/h1-7,17H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396088 (CHEMBL2170742) Show SMILES Oc1ccc(F)c(c1)C(=O)Nc1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H9FN2O3S/c15-10-3-1-7(18)5-9(10)13(20)17-14-16-11-4-2-8(19)6-12(11)21-14/h1-6,18-19H,(H,16,17,20)	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	112	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396084 (CHEMBL2170750) Show SMILES Oc1ccc2nc(sc2c1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C14H8FNO3S/c15-9-3-1-7(5-11(9)18)13(19)14-16-10-4-2-8(17)6-12(10)20-14/h1-6,17-18H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396082 (CHEMBL2170752) Show SMILES Oc1cc(ccc1F)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C14H8FNO2S/c15-9-6-5-8(7-11(9)17)13(18)14-16-10-3-1-2-4-12(10)19-14/h1-7,17H	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	136	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396088 (CHEMBL2170742) Show SMILES Oc1ccc(F)c(c1)C(=O)Nc1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H9FN2O3S/c15-10-3-1-7(18)5-9(10)13(20)17-14-16-11-4-2-8(19)6-12(11)21-14/h1-6,18-19H,(H,16,17,20)	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	152	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addit...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396094 (CHEMBL2170760) Show SMILES Oc1ccc2nc(NC(=O)c3ccc(F)c(O)c3)sc2c1 Show InChI InChI=1S/C14H9FN2O3S/c15-9-3-1-7(5-11(9)19)13(20)17-14-16-10-4-2-8(18)6-12(10)21-14/h1-6,18-19H,(H,16,17,20)	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	171	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396093 (CHEMBL2170746) Show SMILES Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3Cl)sc2c1 Show InChI InChI=1S/C14H8ClFN2O3S/c15-12-9(20)4-2-7(16)11(12)13(21)18-14-17-8-3-1-6(19)5-10(8)22-14/h1-5,19-20H,(H,17,18,21)	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	221	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396090 (CHEMBL2170758) Show SMILES Oc1cccc(c1)C(=O)Nc1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10N2O3S/c17-9-3-1-2-8(6-9)13(19)16-14-15-11-5-4-10(18)7-12(11)20-14/h1-7,17-18H,(H,15,16,19)	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	243	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396090 (CHEMBL2170758) Show SMILES Oc1cccc(c1)C(=O)Nc1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10N2O3S/c17-9-3-1-2-8(6-9)13(19)16-14-15-11-5-4-10(18)7-12(11)20-14/h1-7,17-18H,(H,15,16,19)	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	245	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addit...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396080 (CHEMBL2170754) Show SMILES Cc1ccc(cc1O)C(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C15H11NO3S/c1-8-2-3-9(6-12(8)18)14(19)15-16-11-5-4-10(17)7-13(11)20-15/h2-7,17-18H,1H3	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	258	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addit...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396079 (CHEMBL2170755) Show SMILES Oc1ccc(O)c(c1)C(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H9NO4S/c16-7-2-4-11(18)9(5-7)13(19)14-15-10-3-1-8(17)6-12(10)20-14/h1-6,16-18H	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	365	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addit...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396093 (CHEMBL2170746) Show SMILES Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3Cl)sc2c1 Show InChI InChI=1S/C14H8ClFN2O3S/c15-12-9(20)4-2-7(16)11(12)13(21)18-14-17-8-3-1-6(19)5-10(8)22-14/h1-5,19-20H,(H,17,18,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	469	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396092 (CHEMBL2170748) Show SMILES Oc1ccc2nc(NC(=O)c3ccc(F)c(O)c3F)sc2c1 Show InChI InChI=1S/C14H8F2N2O3S/c15-8-3-2-7(11(16)12(8)20)13(21)18-14-17-9-4-1-6(19)5-10(9)22-14/h1-5,19-20H,(H,17,18,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	541	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50396080 (CHEMBL2170754) Show SMILES Cc1ccc(cc1O)C(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C15H11NO3S/c1-8-2-3-9(6-12(8)18)14(19)15-16-11-5-4-10(17)7-13(11)20-15/h2-7,17-18H,1H3	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	570	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396091 (CHEMBL2170749) Show SMILES CN(C(=O)c1ccc(F)c(O)c1)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C15H11FN2O3S/c1-18(14(21)8-2-4-10(16)12(20)6-8)15-17-11-5-3-9(19)7-13(11)22-15/h2-7,19-20H,1H3	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	667	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396095 (CHEMBL2170757) Show SMILES Oc1ccc2nc(sc2c1)C(=O)c1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C20H13NO4S/c22-13-7-8-15-18(11-13)26-20(21-15)19(24)12-6-9-17(16(23)10-12)25-14-4-2-1-3-5-14/h1-11,22-23H	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	863	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396086 (CHEMBL2170761) Show SMILES Oc1cccc(c1)C(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H9NO3S/c16-9-3-1-2-8(6-9)13(18)14-15-11-5-4-10(17)7-12(11)19-14/h1-7,16-17H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396089 (CHEMBL2170759) Show SMILES Oc1ccc2nc(NC(=O)c3cccc(O)c3F)sc2c1 Show InChI InChI=1S/C14H9FN2O3S/c15-12-8(2-1-3-10(12)19)13(20)17-14-16-9-5-4-7(18)6-11(9)21-14/h1-6,18-19H,(H,16,17,20)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396081 (CHEMBL2170753) Show SMILES Oc1ccc(F)c(c1)C(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H8FNO3S/c15-10-3-1-7(17)5-9(10)13(19)14-16-11-4-2-8(18)6-12(11)20-14/h1-6,17-18H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396095 (CHEMBL2170757) Show SMILES Oc1ccc2nc(sc2c1)C(=O)c1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C20H13NO4S/c22-13-7-8-15-18(11-13)26-20(21-15)19(24)12-6-9-17(16(23)10-12)25-14-4-2-1-3-5-14/h1-11,22-23H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396094 (CHEMBL2170760) Show SMILES Oc1ccc2nc(NC(=O)c3ccc(F)c(O)c3)sc2c1 Show InChI InChI=1S/C14H9FN2O3S/c15-9-3-1-7(5-11(9)19)13(20)17-14-16-10-4-2-8(18)6-12(10)21-14/h1-6,18-19H,(H,16,17,20)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396079 (CHEMBL2170755) Show SMILES Oc1ccc(O)c(c1)C(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H9NO4S/c16-7-2-4-11(18)9(5-7)13(19)14-15-10-3-1-8(17)6-12(10)20-14/h1-6,16-18H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396087 (CHEMBL2170747) Show SMILES Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2c1 Show InChI InChI=1S/C14H8F2N2O3S/c15-7-2-4-9(20)12(16)11(7)13(21)18-14-17-8-3-1-6(19)5-10(8)22-14/h1-5,19-20H,(H,17,18,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50396084 (CHEMBL2170750) Show SMILES Oc1ccc2nc(sc2c1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C14H8FNO3S/c15-9-3-1-7(5-11(9)18)13(19)14-16-10-4-2-8(17)6-12(10)20-14/h1-6,17-18H	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396091 (CHEMBL2170749) Show SMILES CN(C(=O)c1ccc(F)c(O)c1)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C15H11FN2O3S/c1-18(14(21)8-2-4-10(16)12(20)6-8)15-17-11-5-3-9(19)7-13(11)22-15/h2-7,19-20H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50396096 (CHEMBL2170744) Show SMILES Oc1ccc2nc(NC(=O)c3cc(O)cc(O)c3)sc2c1 Show InChI InChI=1S/C14H10N2O4S/c17-8-1-2-11-12(6-8)21-14(15-11)16-13(20)7-3-9(18)5-10(19)4-7/h1-6,17-19H,(H,15,16,20)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in p...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396088 (CHEMBL2170742) Show SMILES Oc1ccc(F)c(c1)C(=O)Nc1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H9FN2O3S/c15-10-3-1-7(18)5-9(10)13(20)17-14-16-11-4-2-8(19)6-12(11)21-14/h1-6,18-19H,(H,16,17,20)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396080 (CHEMBL2170754) Show SMILES Cc1ccc(cc1O)C(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C15H11NO3S/c1-8-2-3-9(6-12(8)18)14(19)15-16-11-5-4-10(17)7-13(11)20-15/h2-7,17-18H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50396090 (CHEMBL2170758) Show SMILES Oc1cccc(c1)C(=O)Nc1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H10N2O3S/c17-9-3-1-2-8(6-9)13(19)16-14-15-11-5-4-10(18)7-12(11)20-14/h1-7,17-18H,(H,15,16,19)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis i...				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50396087 (CHEMBL2170747) Show SMILES Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2c1 Show InChI InChI=1S/C14H8F2N2O3S/c15-7-2-4-9(20)12(16)11(7)13(21)18-14-17-8-3-1-6(19)5-10(8)22-14/h1-5,19-20H,(H,17,18,21)	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	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50396087 (CHEMBL2170747) Show SMILES Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2c1 Show InChI InChI=1S/C14H8F2N2O3S/c15-7-2-4-9(20)12(16)11(7)13(21)18-14-17-8-3-1-6(19)5-10(8)22-14/h1-5,19-20H,(H,17,18,21)	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	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50396087 (CHEMBL2170747) Show SMILES Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2c1 Show InChI InChI=1S/C14H8F2N2O3S/c15-7-2-4-9(20)12(16)11(7)13(21)18-14-17-8-3-1-6(19)5-10(8)22-14/h1-5,19-20H,(H,17,18,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP2B6				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50396080 (CHEMBL2170754) Show SMILES Cc1ccc(cc1O)C(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C15H11NO3S/c1-8-2-3-9(6-12(8)18)14(19)15-16-11-5-4-10(17)7-13(11)20-15/h2-7,17-18H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP2B6				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50396084 (CHEMBL2170750) Show SMILES Oc1ccc2nc(sc2c1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C14H8FNO3S/c15-9-3-1-7(5-11(9)18)13(19)14-16-10-4-2-8(17)6-12(10)20-14/h1-6,17-18H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP2B6				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50396080 (CHEMBL2170754) Show SMILES Cc1ccc(cc1O)C(=O)c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C15H11NO3S/c1-8-2-3-9(6-12(8)18)14(19)15-16-11-5-4-10(17)7-13(11)20-15/h2-7,17-18H,1H3	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	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				J Med Chem 55: 2469-73 (2012) Article DOI: 10.1021/jm201711b BindingDB Entry DOI: 10.7270/Q2J67J1C
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 59 total )  |  Next  |  Last  >>

Jump to: