Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '17-beta-hydroxysteroid dehydrogenase type 1' and Ligand = 'BDBM50172495'   

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))	BDBM50172495 ((S)-8-(2-Methoxy-ethyl)-6a-methyl-4b,5,6,6a,8,10,1...) Show SMILES COCCn1cc2CC3C4CCc5cc(O)ccc5C4CC[C@]3(C)c2n1 Show InChI InChI=1S/C22H28N2O2/c1-22-8-7-18-17-6-4-16(25)11-14(17)3-5-19(18)20(22)12-15-13-24(9-10-26-2)23-21(15)22/h4,6,11,13,18-20,25H,3,5,7-10,12H2,1-2H3/t18?,19?,20?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17-beta-hydroxysteroid dehydrogenase type 1 expressed in T47D human breast cancer cells using 2 nM [3H]estrone				J Med Chem 48: 5749-70 (2005) Article DOI: 10.1021/jm050348a BindingDB Entry DOI: 10.7270/Q2QJ7J38
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