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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50366661'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))		BDBM50366661
PNG
(CHEMBL1627355)
Show SMILES CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)c1ccc(O)cc1C(=O)[C@H]3Sc1ccc(Br)cc1
Show InChI InChI=1S/C26H27BrO4S/c1-14(28)31-22-10-9-21-23-19(11-12-26(21,22)2)18-8-5-16(29)13-20(18)24(30)25(23)32-17-6-3-15(27)4-7-17/h3-8,13,19,21-23,25,29H,9-12H2,1-2H3/t19-,21+,22+,23-,25+,26+/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 5n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha

Bioorg Med Chem Lett 10: 147-51 (2000)


BindingDB Entry DOI: 10.7270/Q2JH3MQR
More data for this
Ligand-Target Pair