Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '17-beta-hydroxysteroid dehydrogenase type 1' and Ligand = 'BDBM50385899'   

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))	BDBM50385899 (CHEMBL2041380) Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1ccc2ccn(c2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H21NO4S/c32-25-6-4-5-21(18-25)22-11-13-27-23(17-22)12-14-29(33)30(27)24-10-9-20-15-16-31(28(20)19-24)36(34,35)26-7-2-1-3-8-26/h1-19,32-33H	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	519	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay				J Med Chem 55: 3307-18 (2012) Article DOI: 10.1021/jm201735j BindingDB Entry DOI: 10.7270/Q23J3F0K
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