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BDBM50525253 CHEMBL4518283

SMILES: [H][C@@]12CC[C@H](O)[C@@]1(C)C[C@H](c1ccc(OCCCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)cc1)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]

InChI Key: InChIKey=SDCUWFRXMLQNCS-LFAPAAFUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50525253   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))		BDBM50525253
PNG
(CHEMBL4518283)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)C[C@H](c1ccc(OCCCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)cc1)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
Show InChI InChI=1S/C34H43F5O5S/c1-32-21-28(31-26-13-9-24(40)20-23(26)8-12-27(31)29(32)14-15-30(32)41)22-6-10-25(11-7-22)44-17-3-2-4-18-45(42,43)19-5-16-33(35,36)34(37,38)39/h6-7,9-11,13,20,27-31,40-41H,2-5,8,12,14-19,21H2,1H3/t27-,28+,29-,30-,31+,32-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0400n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of ERalpha in human MCF7 cells after 36 hrs by Western blot analysis

Eur J Med Chem 177: 116-143 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.023
More data for this
Ligand-Target Pair