Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '17-beta-hydroxysteroid dehydrogenase type 1' and Ligand = 'BDBM50358108'   

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))	BDBM50358108 (CHEMBL1915944) Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1cccc(O)c1 Show InChI InChI=1S/C19H17NO3S/c1-20(12-13-4-2-6-15(21)10-13)19(23)18-9-8-17(24-18)14-5-3-7-16(22)11-14/h2-11,21-22H,12H2,1H3	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	5.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental 17beta-HSD1 cytosolic fraction using tritiated estrone as substrate assessed as formation of estradiol by HPLC analysis				Eur J Med Chem 83: 317-37 (2014) Article DOI: 10.1016/j.ejmech.2014.06.036 BindingDB Entry DOI: 10.7270/Q2HQ41H5
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50358108 (CHEMBL1915944) Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1cccc(O)c1 Show InChI InChI=1S/C19H17NO3S/c1-20(12-13-4-2-6-15(21)10-13)19(23)18-9-8-17(24-18)14-5-3-7-16(22)11-14/h2-11,21-22H,12H2,1H3	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	5.45E+3	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 placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis				J Med Chem 56: 167-81 (2013) Article DOI: 10.1021/jm3014053 BindingDB Entry DOI: 10.7270/Q2ZK5J0P
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50358108 (CHEMBL1915944) Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1cccc(O)c1 Show InChI InChI=1S/C19H17NO3S/c1-20(12-13-4-2-6-15(21)10-13)19(23)18-9-8-17(24-18)14-5-3-7-16(22)11-14/h2-11,21-22H,12H2,1H3	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	5.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins by radio flow detector-based HPLC analysis in presenc...				Eur J Med Chem 46: 5978-90 (2011) Article DOI: 10.1016/j.ejmech.2011.10.010 BindingDB Entry DOI: 10.7270/Q2PN9625
					More data for this Ligand-Target Pair