Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '17-beta-hydroxysteroid dehydrogenase type 1' and Ligand = 'BDBM50400510'   

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))	BDBM50400510 (CHEMBL2203399) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CBr)ccc34)[C@@H]1C[C@H](Cc1cccc(c1)C(N)=O)[C@@H]2O |r| Show InChI InChI=1S/C27H32BrNO2/c1-27-10-9-22-21-7-5-17(15-28)13-18(21)6-8-23(22)24(27)14-20(25(27)30)12-16-3-2-4-19(11-16)26(29)31/h2-5,7,11,13,20,22-25,30H,6,8-10,12,14-15H2,1H3,(H2,29,31)/t20-,22+,23+,24-,25-,27-/m0/s1	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	430	n/a	n/a	n/a	n/a	n/a	n/a
Laval University Curated by ChEMBL					Assay Description Inhibition of 17-beta HSD1 in human T47D cells assessed as transformation of [14C]E1 to [14C]E2 after 24 hrs by thin layer chromatography				J Med Chem 57: 204-22 (2014) Article DOI: 10.1021/jm401639v BindingDB Entry DOI: 10.7270/Q2V98C2Z
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50400510 (CHEMBL2203399) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CBr)ccc34)[C@@H]1C[C@H](Cc1cccc(c1)C(N)=O)[C@@H]2O |r| Show InChI InChI=1S/C27H32BrNO2/c1-27-10-9-22-21-7-5-17(15-28)13-18(21)6-8-23(22)24(27)14-20(25(27)30)12-16-3-2-4-19(11-16)26(29)31/h2-5,7,11,13,20,22-25,30H,6,8-10,12,14-15H2,1H3,(H2,29,31)/t20-,22+,23+,24-,25-,27-/m0/s1	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	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 in human T47D cells assessed as decrease in transformation of [14C]estrone to [14C]-estradiol after 24 hrs by thin layer ch...				ACS Med Chem Lett 2: 678-681 (2011) Article DOI: 10.1021/ml200093v BindingDB Entry DOI: 10.7270/Q23T9JCS
					More data for this Ligand-Target Pair