BDBM50172501 (S)-6a,8-Dimethyl-4b,5,6,6a,8,10,10a,10b,11,12-decahydro-7,8-diaza-pentaleno[2,1-a]phenanthren-2-ol::CHEMBL198613

SMILES: Cn1cc2CC3C4CCc5cc(O)ccc5C4CC[C@]3(C)c2n1

InChI Key: InChIKey=NIDKEHYVRPGDLE-MPTUAUJUSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50172501   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM50172501 ((S)-6a,8-Dimethyl-4b,5,6,6a,8,10,10a,10b,11,12-dec...) Show SMILES Cn1cc2CC3C4CCc5cc(O)ccc5C4CC[C@]3(C)c2n1 Show InChI InChI=1S/C20H24N2O/c1-20-8-7-16-15-6-4-14(23)9-12(15)3-5-17(16)18(20)10-13-11-22(2)21-19(13)20/h4,6,9,11,16-18,23H,3,5,7-8,10H2,1-2H3/t16?,17?,18?,20-/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	2.75E+3	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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