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PubMed code 19430488

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Estrogen receptor beta


(Mus musculus)		BDBM50303804
PNG
((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3...)
Show SMILES Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 |r,c:22|
Show InChI InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1
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PubMed
 0.300n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta receptor in mouse COS7 cells by competitive binding assay

Nat Chem Biol 5: 421-7 (2009)


Article DOI: 10.1038/nchembio.168
BindingDB Entry DOI: 10.7270/Q2RB74TZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Mus musculus)		BDBM50303803
PNG
(1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)
Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11|
Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha receptor in mouse COS7 cells by competitive binding assay

Nat Chem Biol 5: 421-7 (2009)


Article DOI: 10.1038/nchembio.168
BindingDB Entry DOI: 10.7270/Q2RB74TZ
More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens (Human))		BDBM50303804
PNG
((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3...)
Show SMILES Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 |r,c:22|
Show InChI InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1
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n/an/a 185n/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Antagonist activity at GPR30 in human SKBr3 cells assessed as inhibition of calcium mobilization

Nat Chem Biol 5: 421-7 (2009)


Article DOI: 10.1038/nchembio.168
BindingDB Entry DOI: 10.7270/Q2RB74TZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%