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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein coupled estrogen receptor 1' and Ligand = 'BDBM288672'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM288672
PNG
((E)-3-(3,5-difluoro-4-((1R,3R/1S,3S)-2-(2-fluoro-2...)
Show SMILES CC1Cc2c(oc3ccc(cc23)-c2cnn(C)c2)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C29H28F3N3O3/c1-16-9-21-20-12-18(19-13-33-34(4)14-19)6-7-24(20)38-28(21)27(35(16)15-29(2,3)32)26-22(30)10-17(11-23(26)31)5-8-25(36)37/h5-8,10-14,16,27H,9,15H2,1-4H3,(H,36,37)/b8-5+
PDB

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PC cid
PC sid
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US Patent
n/an/a 0.210n/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