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BDBM50238730 CHEMBL4099166

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

InChI Key: InChIKey=HLQTVKQQCLCTAD-MTNYTLHYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50238730   
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))		BDBM50238730
PNG
(CHEMBL4099166)
Show SMILES CCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(43.4,-9.83,;44.73,-10.6,;46.06,-9.83,;47.4,-10.6,;48.73,-9.83,;50.06,-10.6,;50.06,-12.14,;51.4,-9.83,;52.73,-10.6,;54.07,-9.84,;54.07,-8.29,;55.4,-7.52,;56.73,-8.28,;56.74,-9.83,;55.4,-10.61,;58.06,-7.51,;59.4,-8.27,;59.41,-9.77,;58.21,-11.04,;59.71,-10.62,;61.12,-11.18,;62.12,-9.9,;60.73,-10.25,;62.14,-8.37,;60.74,-7.8,;59.7,-9.03,;58.06,-5.97,;59.39,-5.2,;59.39,-3.66,;58.05,-2.9,;58.04,-1.36,;56.71,-3.68,;56.73,-5.22,)|
Show InChI InChI=1S/C30H34O3/c1-2-3-14-33-28(32)13-6-20-4-7-23(8-5-20)29(24-9-11-27(31)12-10-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h4-13,21-22,25-26,31H,2-3,14-19H2,1H3/b13-6+,30-29-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.80n/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