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BDBM50238731 CHEMBL4091563

SMILES: Oc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(\C=C\C(=O)NCC(F)(F)F)cc1

InChI Key: InChIKey=BZRPDQXHBOSQFN-VTYGPZDMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50238731   
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))		BDBM50238731
PNG
(CHEMBL4091563)
Show SMILES Oc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(\C=C\C(=O)NCC(F)(F)F)cc1 |TLB:7:8:10:14.12.13,THB:12:11:8:14.13.15,12:13:10.11.17:8,15:13:10:17.16.8,15:16:10:14.12.13,(63.74,-14.98,;63.75,-16.52,;65.09,-17.29,;65.09,-18.83,;63.76,-19.6,;62.43,-18.84,;62.41,-17.31,;63.76,-21.14,;65.1,-21.9,;65.11,-23.39,;63.91,-24.66,;65.41,-24.25,;66.82,-24.81,;67.83,-23.53,;66.43,-23.88,;67.84,-22,;66.44,-21.43,;65.4,-22.66,;62.43,-21.91,;61.1,-21.15,;59.77,-21.92,;59.77,-23.46,;58.43,-24.23,;57.1,-23.46,;55.76,-24.23,;55.75,-25.77,;54.43,-23.45,;53.09,-24.22,;51.76,-23.44,;51.77,-21.9,;50.42,-24.21,;50.42,-22.67,;61.1,-24.23,;62.44,-23.46,)|
Show InChI InChI=1S/C28H28F3NO2/c29-28(30,31)16-32-25(34)10-3-17-1-4-20(5-2-17)26(21-6-8-24(33)9-7-21)27-22-12-18-11-19(14-22)15-23(27)13-18/h1-10,18-19,22-23,33H,11-16H2,(H,32,34)/b10-3+,27-26-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.30n/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