BindingDB logo
myBDB logout

BDBM50238729 CHEMBL4098232

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

InChI Key: InChIKey=MRCYEBFWAHTUFG-BFPMNZARSA-N

Data: 1 KI

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 = 50238729   
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))		BDBM50238729
PNG
(CHEMBL4098232)
Show SMILES OCCCOC(=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,(3.61,-12.53,;4.95,-13.3,;6.28,-12.54,;7.61,-13.31,;8.95,-12.54,;10.28,-13.31,;10.28,-14.85,;11.62,-12.54,;12.95,-13.31,;14.28,-12.54,;14.29,-11,;15.61,-10.23,;16.95,-10.99,;16.95,-12.54,;15.62,-13.31,;18.28,-10.22,;19.62,-10.98,;19.62,-12.47,;18.43,-13.74,;19.92,-13.33,;21.33,-13.89,;22.34,-12.61,;20.95,-12.96,;22.36,-11.08,;20.96,-10.51,;19.92,-11.74,;18.27,-8.68,;19.61,-7.91,;19.6,-6.37,;18.27,-5.6,;18.26,-4.06,;16.93,-6.39,;16.94,-7.92,)|
Show InChI InChI=1S/C29H32O4/c30-12-1-13-33-27(32)11-4-19-2-5-22(6-3-19)28(23-7-9-26(31)10-8-23)29-24-15-20-14-21(17-24)18-25(29)16-20/h2-11,20-21,24-25,30-31H,1,12-18H2/b11-4+,29-28-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.710n/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