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BDBM50238728 CHEMBL4089824

SMILES: OCCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1

InChI Key: InChIKey=GPWSTOKTGQHOOT-CKKFNOSNSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50238728   
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))		BDBM50238728
PNG
(CHEMBL4089824)
Show SMILES OCCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:16:17:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.26:17,24:22:19:26.25.17,24:25:19:23.21.22,(2.92,-25.43,;4.26,-24.66,;5.59,-25.43,;6.93,-24.66,;8.26,-25.43,;9.59,-24.66,;10.93,-25.43,;10.93,-26.97,;12.26,-24.67,;13.59,-25.44,;14.93,-24.67,;14.93,-23.12,;16.26,-22.35,;17.59,-23.12,;17.6,-24.67,;16.26,-25.44,;18.93,-22.34,;20.26,-23.11,;20.27,-24.6,;19.07,-25.87,;20.57,-25.46,;21.98,-26.01,;22.99,-24.74,;21.59,-25.08,;23.01,-23.21,;21.6,-22.64,;20.56,-23.86,;18.92,-20.8,;20.25,-20.04,;20.25,-18.5,;18.91,-17.73,;18.9,-16.19,;17.58,-18.51,;17.59,-20.05,)|
Show InChI InChI=1S/C30H34O4/c31-13-1-2-14-34-28(33)12-5-20-3-6-23(7-4-20)29(24-8-10-27(32)11-9-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h3-12,21-22,25-26,31-32H,1-2,13-19H2/b12-5+,30-29-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.450n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting

J Med Chem 60: 6321-6336 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00585
BindingDB Entry DOI: 10.7270/Q2RB76V7
More data for this
Ligand-Target Pair