BDBM50495475 CHEMBL3108979

SMILES: [H][C@@]12C[C@H](Cc3cccc(c3)C(N)=O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(CCCBr)cc3CC[C@@]21[H]

InChI Key: InChIKey=SYOBAYCGHNHJJP-XXOXGGEOSA-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 = 50495475   

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 (Homo sapiens (Human))	BDBM50495475 (CHEMBL3108979) Show SMILES [H][C@@]12C[C@H](Cc3cccc(c3)C(N)=O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(CCCBr)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C29H36BrNO2/c1-29-12-11-24-23-9-7-18(5-3-13-30)14-20(23)8-10-25(24)26(29)17-22(27(29)32)16-19-4-2-6-21(15-19)28(31)33/h2,4,6-7,9,14-15,22,24-27,32H,3,5,8,10-13,16-17H2,1H3,(H2,31,33)/t22-,24+,25+,26-,27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	153	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