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SMILES: CCn1cc(cn1)-c1ccc2[C@H](N(CC(C)(C)F)[C@H](C)Cc2c1)c1c(F)cc(\C=C\C(O)=O)cc1F

InChI Key: InChIKey=DCTDERJCKOUJPR-YCCGHEQVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 288616   
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
G-protein coupled estrogen receptor 1


(Homo sapiens (Human))		BDBM288616
PNG
(US10087191, Example 21)
Show SMILES CCn1cc(cn1)-c1ccc2[C@H](N(CC(C)(C)F)[C@H](C)Cc2c1)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
Show InChI InChI=1S/C28H30F3N3O2/c1-5-33-15-21(14-32-33)19-7-8-22-20(13-19)10-17(2)34(16-28(3,4)31)27(22)26-23(29)11-18(12-24(26)30)6-9-25(35)36/h6-9,11-15,17,27H,5,10,16H2,1-4H3,(H,35,36)/b9-6+/t17-,27+/m1/s1
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.320n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...

US Patent US10087191 (2018)


BindingDB Entry DOI: 10.7270/Q2BP04T1
More data for this
Ligand-Target Pair