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Compile Data Set for Download or QSAR

Found 56 hits of Enz. Inhib. data with enzyme = 'Estrogen receptor' and Substrate = 'BDBM17289'   
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))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 10n/a 0.590n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM17289
PNG
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
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n/an/a 29n/a 166n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19951
PNG
(3-arylquinazolinone, 1aar | 7-hydroxy-5-(hydroxyme...)
Show SMILES OCc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Show InChI InChI=1S/C15H12N2O4/c18-7-9-5-12(20)6-13-14(9)15(21)17(8-16-13)10-1-3-11(19)4-2-10/h1-6,8,18-20H,7H2
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n/an/a 121n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19933
PNG
(2-butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihy...)
Show SMILES CCCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C18H18N2O4/c1-2-3-4-16-19-14-9-13(22)10-15(23)17(14)18(24)20(16)11-5-7-12(21)8-6-11/h5-10,21-23H,2-4H2,1H3
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n/an/a 178n/an/an/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19956
PNG
(3-arylquinazolinethione, 1bd | 7-hydroxy-3-(4-hydr...)
Show SMILES Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=S)c12
Show InChI InChI=1S/C15H12N2O2S/c1-9-6-12(19)7-13-14(9)15(20)17(8-16-13)10-2-4-11(18)5-3-10/h2-8,18-19H,1H3
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n/an/a 1.75E+3n/a 1.67E+3n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 1.97E+3n/a 956n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM19957
PNG
(3-arylquinazolinethione, 1be | 5-ethyl-7-hydroxy-3...)
Show SMILES CCc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=S)c12
Show InChI InChI=1S/C16H14N2O2S/c1-2-10-7-13(20)8-14-15(10)16(21)18(9-17-14)11-3-5-12(19)6-4-11/h3-9,19-20H,2H2,1H3
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n/an/a 2.26E+3n/a 1.46E+3n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19953
PNG
(3-arylquinazolinethione, 1ba | 5,7-dihydroxy-3-(4-...)
Show SMILES Oc1ccc(cc1)-n1cnc2cc(O)cc(O)c2c1=S
Show InChI InChI=1S/C14H10N2O3S/c17-9-3-1-8(2-4-9)16-7-15-11-5-10(18)6-12(19)13(11)14(16)20/h1-7,17-19H
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n/an/a 2.64E+3n/a 2.79E+3n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19955
PNG
(3-arylquinazolinethione, 1bc | 5,7-dihydroxy-3-(4-...)
Show SMILES Cc1cc(ccc1O)-n1cnc2cc(O)cc(O)c2c1=S
Show InChI InChI=1S/C15H12N2O3S/c1-8-4-9(2-3-12(8)19)17-7-16-11-5-10(18)6-13(20)14(11)15(17)21/h2-7,18-20H,1H3
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n/an/a 2.85E+3n/a 2.41E+3n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19954
PNG
(3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxy-3,4-dih...)
Show SMILES Oc1cc(O)c2c(c1)ncn(-c1ccc(O)c(F)c1)c2=S
Show InChI InChI=1S/C14H9FN2O3S/c15-9-3-7(1-2-11(9)19)17-6-16-10-4-8(18)5-12(20)13(10)14(17)21/h1-6,18-20H
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n/an/a 3.08E+3n/a 776n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19912
PNG
(3-arylquinazolinone, 1ac | 5,7-dihydroxy-3-(4-hydr...)
Show SMILES Cc1cc(O)ccc1-n1cnc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H12N2O4/c1-8-4-9(18)2-3-12(8)17-7-16-11-5-10(19)6-13(20)14(11)15(17)21/h2-7,18-20H,1H3
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n/an/a 4.38E+3n/a 5.31E+3n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19932
PNG
(3-arylquinazolinone, 1ax | 5,7-dihydroxy-3-(4-hydr...)
Show SMILES CCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C17H16N2O4/c1-2-3-15-18-13-8-12(21)9-14(22)16(13)17(23)19(15)10-4-6-11(20)7-5-10/h4-9,20-22H,2-3H2,1H3
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n/an/a 5.37E+3n/an/an/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19916
PNG
(3-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-3,4-dih...)
Show SMILES Oc1ccc(c(Cl)c1)-n1cnc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C14H9ClN2O4/c15-9-3-7(18)1-2-11(9)17-6-16-10-4-8(19)5-12(20)13(10)14(17)21/h1-6,18-20H
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n/an/a 6.25E+3n/a 1.43E+3n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19915
PNG
(3-(2-fluoro-4-hydroxyphenyl)-5,7-dihydroxy-3,4-dih...)
Show SMILES Oc1ccc(c(F)c1)-n1cnc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C14H9FN2O4/c15-9-3-7(18)1-2-11(9)17-6-16-10-4-8(19)5-12(20)13(10)14(17)21/h1-6,18-20H
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n/an/a 7.49E+3n/a 1.14E+3n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19943
PNG
(3-arylquinazolinone, 1aaj | 7-hydroxy-3-(4-hydroxy...)
Show SMILES Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Show InChI InChI=1S/C15H12N2O3/c1-9-6-12(19)7-13-14(9)15(20)17(8-16-13)10-2-4-11(18)5-3-10/h2-8,18-19H,1H3
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n/an/a 9.64E+3n/a 2.39E+3n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19926
PNG
(3-arylquinazolinone, 1aq | 5,7-dihydroxy-3-(4-hydr...)
Show SMILES CCCc1c(O)cc2ncn(-c3ccc(O)cc3)c(=O)c2c1O
Show InChI InChI=1S/C17H16N2O4/c1-2-3-12-14(21)8-13-15(16(12)22)17(23)19(9-18-13)10-4-6-11(20)7-5-10/h4-9,20-22H,2-3H2,1H3
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n/an/a 1.06E+4n/an/an/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19910
PNG
(3-arylquinazolinone, 1aa | 5,7-dihydroxy-3-(4-hydr...)
Show SMILES Oc1ccc(cc1)-n1cnc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C14H10N2O4/c17-9-3-1-8(2-4-9)16-7-15-11-5-10(18)6-12(19)13(11)14(16)20/h1-7,17-19H
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n/an/a 1.11E+4n/a 2.92E+3n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19936
PNG
(3-arylquinazolinone, 1aac | 5,7-dihydroxy-3-(4-hyd...)
Show SMILES Oc1ccc(cc1)-n1c(=S)[nH]c2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C14H10N2O4S/c17-8-3-1-7(2-4-8)16-13(20)12-10(15-14(16)21)5-9(18)6-11(12)19/h1-6,17-19H,(H,15,21)
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n/an/a 1.11E+4n/a 983n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19947
PNG
(3-arylquinazolinone, 1aan | 5-ethyl-7-hydroxy-3-(4...)
Show SMILES CCc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Show InChI InChI=1S/C16H14N2O3/c1-2-10-7-13(20)8-14-15(10)16(21)18(9-17-14)11-3-5-12(19)6-4-11/h3-9,19-20H,2H2,1H3
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n/an/a 1.32E+4n/a 4.52E+3n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19924
PNG
(3-arylquinazolinone, 1ao | 5,7-dihydroxy-3-(4-hydr...)
Show SMILES Cc1c(O)cc(O)c2c1ncn(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C15H12N2O4/c1-8-11(19)6-12(20)13-14(8)16-7-17(15(13)21)9-2-4-10(18)5-3-9/h2-7,18-20H,1H3
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n/an/a 1.53E+4n/a 9.34E+3n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19942
PNG
(3-arylquinazolinone, 1aai | 5-amino-7-hydroxy-3-(4...)
Show SMILES Nc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Show InChI InChI=1S/C14H11N3O3/c15-11-5-10(19)6-12-13(11)14(20)17(7-16-12)8-1-3-9(18)4-2-8/h1-7,18-19H,15H2
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n/an/a 1.55E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19931
PNG
(2-ethyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihy...)
Show SMILES CCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C16H14N2O4/c1-2-14-17-12-7-11(20)8-13(21)15(12)16(22)18(14)9-3-5-10(19)6-4-9/h3-8,19-21H,2H2,1H3
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n/an/a 1.94E+4n/a 9.32E+3n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19911
PNG
(3-arylquinazolinone, 1ab | 5-hydroxy-3-(4-hydroxyp...)
Show SMILES COc1cc(O)c2c(c1)ncn(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C15H12N2O4/c1-21-11-6-12-14(13(19)7-11)15(20)17(8-16-12)9-2-4-10(18)5-3-9/h2-8,18-19H,1H3
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n/an/a 2.60E+4n/an/an/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19958
PNG
(3-arylquinazolinethione, 1bf | 5,7-dihydroxy-3-(5-...)
Show SMILES Oc1ccc(nc1)-n1cnc2cc(O)cc(O)c2c1=S
Show InChI InChI=1S/C13H9N3O3S/c17-7-1-2-11(14-5-7)16-6-15-9-3-8(18)4-10(19)12(9)13(16)20/h1-6,17-19H
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n/an/a 2.76E+4n/a 4.86E+3n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19930
PNG
(3-arylquinazolinone, 1av | 5,7-dihydroxy-3-(4-hydr...)
Show SMILES Cc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O4/c1-8-16-12-6-11(19)7-13(20)14(12)15(21)17(8)9-2-4-10(18)5-3-9/h2-7,18-20H,1H3
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n/an/a 3.32E+4n/an/an/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19917
PNG
(3-arylquinazolinone, 1ai | 5,7-dihydroxy-3-(4-hydr...)
Show SMILES Cc1cc(ccc1O)-n1cnc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H12N2O4/c1-8-4-9(2-3-12(8)19)17-7-16-11-5-10(18)6-13(20)14(11)15(17)21/h2-7,18-20H,1H3
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n/an/a 3.46E+4n/a 4.58E+3n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19928
PNG
(3-arylquinazolinone, 1at | 5,7-dihydroxy-3-(3-hydr...)
Show SMILES Oc1cccc(c1)-n1cnc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C14H10N2O4/c17-9-3-1-2-8(4-9)16-7-15-11-5-10(18)6-12(19)13(11)14(16)20/h1-7,17-19H
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n/an/a 4.38E+4n/a 1.01E+4n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19952
PNG
(3-arylquinazolinone, 1aas | 7-hydroxy-3-(4-hydroxy...)
Show SMILES CC(=C)c1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Show InChI InChI=1S/C17H14N2O3/c1-10(2)14-7-13(21)8-15-16(14)17(22)19(9-18-15)11-3-5-12(20)6-4-11/h3-9,20-21H,1H2,2H3
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n/an/a 4.40E+4n/a 4.26E+3n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19914
PNG
(3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxy-3,4-dih...)
Show SMILES Oc1cc(O)c2c(c1)ncn(-c1ccc(O)c(F)c1)c2=O
Show InChI InChI=1S/C14H9FN2O4/c15-9-3-7(1-2-11(9)19)17-6-16-10-4-8(18)5-12(20)13(10)14(17)21/h1-6,18-20H
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n/an/a 4.42E+4n/a 3.11E+3n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19940
PNG
(3-arylquinazolinone, 1aag | 7-hydroxy-2,3-bis(4-hy...)
Show SMILES Oc1ccc(cc1)-c1nc2cc(O)ccc2c(=O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C20H14N2O4/c23-14-5-1-12(2-6-14)19-21-18-11-16(25)9-10-17(18)20(26)22(19)13-3-7-15(24)8-4-13/h1-11,23-25H
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n/an/a 4.85E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19927
PNG
(3-arylquinazolinone, 1as | 7-hydroxy-3-(4-hydroxyp...)
Show SMILES Oc1ccc(cc1)-n1cnc2cc(O)ccc2c1=O
Show InChI InChI=1S/C14H10N2O3/c17-10-3-1-9(2-4-10)16-8-15-13-7-11(18)5-6-12(13)14(16)19/h1-8,17-18H
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n/an/a 5.36E+4n/an/an/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19913
PNG
(3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxy-3,4-dih...)
Show SMILES Oc1cc(O)c2c(c1)ncn(-c1ccc(O)c(Cl)c1)c2=O
Show InChI InChI=1S/C14H9ClN2O4/c15-9-3-7(1-2-11(9)19)17-6-16-10-4-8(18)5-12(20)13(10)14(17)21/h1-6,18-20H
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n/an/a 5.50E+4n/a 5.14E+3n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19962
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromene-4-th...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=S
Show InChI InChI=1S/C15H10O4S/c16-9-3-1-8(2-4-9)11-7-19-13-6-10(17)5-12(18)14(13)15(11)20/h1-7,16-18H
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n/an/a 5.59E+4n/a 1.13E+3n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19921
PNG
(3-arylquinazolinone, 1al | 5,7-dihydroxy-3-(6-hydr...)
Show SMILES Oc1cc(O)c2c(c1)ncn(-c1ccc(=O)[nH]c1)c2=O
Show InChI InChI=1S/C13H9N3O4/c17-8-3-9-12(10(18)4-8)13(20)16(6-15-9)7-1-2-11(19)14-5-7/h1-6,17-18H,(H,14,19)
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n/an/a 6.69E+4n/an/an/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19938
PNG
(2,5,7-trihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroqu...)
Show SMILES Oc1ccc(cc1)-n1c(=O)[nH]c2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C14H10N2O5/c17-8-3-1-7(2-4-8)16-13(20)12-10(15-14(16)21)5-9(18)6-11(12)19/h1-6,17-19H,(H,15,21)
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n/an/a 7.03E+4n/a 9.27E+3n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19934
PNG
(3-arylquinazolinone, 1az | 5,7-dihydroxy-3-(4-hydr...)
Show SMILES CC(C)c1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C17H16N2O4/c1-9(2)16-18-13-7-12(21)8-14(22)15(13)17(23)19(16)10-3-5-11(20)6-4-10/h3-9,20-22H,1-2H3
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n/an/a 7.04E+4n/an/an/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19929
PNG
(3-arylquinazolinone, 1au | 5,7-dihydroxy-3-phenyl-...)
Show SMILES Oc1cc(O)c2c(c1)ncn(-c1ccccc1)c2=O
Show InChI InChI=1S/C14H10N2O3/c17-10-6-11-13(12(18)7-10)14(19)16(8-15-11)9-4-2-1-3-5-9/h1-8,17-18H
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n/an/a 7.56E+4n/an/an/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19949
PNG
(3-arylquinazolinone, 1aap | methyl 7-hydroxy-3-(4-...)
Show SMILES COC(=O)c1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Show InChI InChI=1S/C16H12N2O5/c1-23-16(22)12-6-11(20)7-13-14(12)15(21)18(8-17-13)9-2-4-10(19)5-3-9/h2-8,19-20H,1H3
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n/an/a 8.13E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19920
PNG
(3-arylquinazolinone, 1ak | 5,7-dihydroxy-3-(5-hydr...)
Show SMILES Oc1ccc(nc1)-n1cnc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C13H9N3O4/c17-7-1-2-11(14-5-7)16-6-15-9-3-8(18)4-10(19)12(9)13(16)20/h1-6,17-19H
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n/an/a 9.80E+4n/a 3.14E+3n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19950
PNG
(3-arylquinazolinone, 1aaq | 7-hydroxy-3-(4-hydroxy...)
Show SMILES Oc1ccc(cc1)-n1cnc2cc(O)cc(-c3ccccc3)c2c1=O
Show InChI InChI=1S/C20H14N2O3/c23-15-8-6-14(7-9-15)22-12-21-18-11-16(24)10-17(19(18)20(22)25)13-4-2-1-3-5-13/h1-12,23-24H
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n/an/a 1.02E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19919
PNG
(3-arylquinazolinone, 1aak | 3-arylquinazolinone, 1...)
Show SMILES COc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Show InChI InChI=1S/C15H12N2O4/c1-21-13-7-11(19)6-12-14(13)15(20)17(8-16-12)9-2-4-10(18)5-3-9/h2-8,18-19H,1H3
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n/an/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19925
PNG
(3-arylquinazolinone, 1ap | 5,7-dihydroxy-3-(4-hydr...)
Show SMILES Oc1ccc(cc1)-n1cnc2cc(O)c(I)c(O)c2c1=O
Show InChI InChI=1S/C14H9IN2O4/c15-12-10(19)5-9-11(13(12)20)14(21)17(6-16-9)7-1-3-8(18)4-2-7/h1-6,18-20H
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n/an/an/an/an/an/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19919
PNG
(3-arylquinazolinone, 1aak | 3-arylquinazolinone, 1...)
Show SMILES COc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Show InChI InChI=1S/C15H12N2O4/c1-21-13-7-11(19)6-12-14(13)15(20)17(8-16-12)9-2-4-10(18)5-3-9/h2-8,18-19H,1H3
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n/an/an/an/an/an/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19918
PNG
(3-arylquinazolinone, 1aj | 5-hydroxy-7-methoxy-3-(...)
Show SMILES COc1ccc(cc1)-n1cnc2cc(OC)cc(O)c2c1=O
Show InChI InChI=1S/C16H14N2O4/c1-21-11-5-3-10(4-6-11)18-9-17-13-7-12(22-2)8-14(19)15(13)16(18)20/h3-9,19H,1-2H3
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n/an/an/an/an/an/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19941
PNG
(3-arylquinazolinone, 1aah | 5-ethoxy-7-hydroxy-3-(...)
Show SMILES CCOc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Show InChI InChI=1S/C16H14N2O4/c1-2-22-14-8-12(20)7-13-15(14)16(21)18(9-17-13)10-3-5-11(19)6-4-10/h3-9,19-20H,2H2,1H3
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n/an/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19939
PNG
(3-arylquinazolinone, 1aaf | 7-hydroxy-3-(4-hydroxy...)
Show SMILES Cc1nc2cc(O)ccc2c(=O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O3/c1-9-16-14-8-12(19)6-7-13(14)15(20)17(9)10-2-4-11(18)5-3-10/h2-8,18-19H,1H3
PDB

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n/an/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19959
PNG
(3-arylquinazolinethione, 1bg | 5-(acetyloxy)-3-[4-...)
Show SMILES CC(=O)Oc1ccc(cc1)-n1cnc2cc(OC(C)=O)cc(OC(C)=O)c2c1=S
Show InChI InChI=1S/C20H16N2O6S/c1-11(23)26-15-6-4-14(5-7-15)22-10-21-17-8-16(27-12(2)24)9-18(28-13(3)25)19(17)20(22)29/h4-10H,1-3H3
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n/an/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19960
PNG
(3-arylquinazolinethione, 1bh | 7-methoxy-3-(4-meth...)
Show SMILES COc1ccc(cc1)-n1cnc2cc(OC)cc(OS(=O)(=O)C(F)(F)F)c2c1=S
Show InChI InChI=1S/C17H13F3N2O5S2/c1-25-11-5-3-10(4-6-11)22-9-21-13-7-12(26-2)8-14(15(13)16(22)28)27-29(23,24)17(18,19)20/h3-9H,1-2H3
PDB

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n/an/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19961
PNG
(3-arylquinazolinethione, 1bi | 5-hydroxy-7-methoxy...)
Show SMILES COc1ccc(cc1)-n1cnc2cc(OC)cc(O)c2c1=S
Show InChI InChI=1S/C16H14N2O3S/c1-20-11-5-3-10(4-6-11)18-9-17-13-7-12(21-2)8-14(19)15(13)16(18)22/h3-9,19H,1-2H3
PDB

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antibodypedia
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n/an/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19937
PNG
(2-chloro-5,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dih...)
Show SMILES Oc1ccc(cc1)-n1c(Cl)nc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C14H9ClN2O4/c15-14-16-10-5-9(19)6-11(20)12(10)13(21)17(14)7-1-3-8(18)4-2-7/h1-6,18-20H
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem

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Article
PubMed
n/an/an/an/an/an/an/a8.022



Bristol-Myers Squibb Company



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...

J Med Chem 49: 2440-55 (2006)


Article DOI: 10.1021/jm0509389
BindingDB Entry DOI: 10.7270/Q2WH2N82
More data for this
Ligand-Target Pair
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