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BDBM50459751 CHEMBL4212956

SMILES: Fc1ccc(Cc2cnc(NC(=O)c3[nH]c4ccccc4c3Cl)s2)c(F)c1

InChI Key: InChIKey=VAIZZVVLWQFCSZ-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50459751   
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))		BDBM50459751
PNG
(CHEMBL4212956)
Show SMILES Fc1ccc(Cc2cnc(NC(=O)c3[nH]c4ccccc4c3Cl)s2)c(F)c1
Show InChI InChI=1S/C19H12ClF2N3OS/c20-16-13-3-1-2-4-15(13)24-17(16)18(26)25-19-23-9-12(27-19)7-10-5-6-11(21)8-14(10)22/h1-6,8-9,24H,7H2,(H,23,25,26)
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UniChem
Article
PubMed
n/an/an/an/a 1.62E+3n/an/an/an/a



Saint Louis University

Curated by ChEMBL


Assay Description
Agonist activity at GPER (unknown origin) expressed in human HL60 cells assessed as increase in cAMP accumulation in presence of IBMX after 15 mins b...

ACS Med Chem Lett 9: 901-906 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00212
BindingDB Entry DOI: 10.7270/Q2930WTZ
More data for this
Ligand-Target Pair