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PubMed code 16219463

Compile data set for download or QSAR
Found 34 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


(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 0.75n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175419
PNG
(4-(2-phenyl-1H-indol-3-yl)phenol | CHEMBL371012)
Show SMILES Oc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H15NO/c22-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)21-20(19)15-6-2-1-3-7-15/h1-13,21-22H
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n/an/a 1.12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(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 1.18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(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 1.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175413
PNG
(4-(4-phenyl-5-(trifluoromethyl)isoxazol-3-yl)pheno...)
Show SMILES Oc1ccc(cc1)-c1noc(c1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H10F3NO2/c17-16(18,19)15-13(10-4-2-1-3-5-10)14(20-22-15)11-6-8-12(21)9-7-11/h1-9,21H
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175413
PNG
(4-(4-phenyl-5-(trifluoromethyl)isoxazol-3-yl)pheno...)
Show SMILES Oc1ccc(cc1)-c1noc(c1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H10F3NO2/c17-16(18,19)15-13(10-4-2-1-3-5-10)14(20-22-15)11-6-8-12(21)9-7-11/h1-9,21H
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n/an/a 8.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175412
PNG
(4-(3-(4-hydroxyphenyl)-1H-indol-2-yl)phenol | CHEM...)
Show SMILES Oc1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(O)cc1
Show InChI InChI=1S/C20H15NO2/c22-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)21-20(19)14-7-11-16(23)12-8-14/h1-12,21-23H
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n/an/a 11.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175417
PNG
(4-(2-(3-methylisoxazol-4-yl)-1H-benzo[d]imidazol-1...)
Show SMILES Cc1nocc1-c1nc2ccccc2n1-c1ccc(O)cc1
Show InChI InChI=1S/C17H13N3O2/c1-11-14(10-22-19-11)17-18-15-4-2-3-5-16(15)20(17)12-6-8-13(21)9-7-12/h2-10,21H,1H3
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n/an/a 14.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175415
PNG
(4-(5-phenyl-2-(trifluoromethyl)-1H-imidazol-4-yl)p...)
Show SMILES Oc1ccc(cc1)-c1[nH]c(nc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)15-20-13(10-4-2-1-3-5-10)14(21-15)11-6-8-12(22)9-7-11/h1-9,22H,(H,20,21)
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n/an/a 15.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175419
PNG
(4-(2-phenyl-1H-indol-3-yl)phenol | CHEMBL371012)
Show SMILES Oc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H15NO/c22-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)21-20(19)15-6-2-1-3-7-15/h1-13,21-22H
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n/an/a 24n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175410
PNG
(4-(2-(1-methyl-1H-pyrrol-2-yl)-1H-benzo[d]imidazol...)
Show SMILES Cn1cccc1-c1nc2ccccc2n1-c1ccc(O)cc1
Show InChI InChI=1S/C18H15N3O/c1-20-12-4-7-17(20)18-19-15-5-2-3-6-16(15)21(18)13-8-10-14(22)11-9-13/h2-12,22H,1H3
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n/an/a 28.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
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 29.4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175416
PNG
(4-(2-(thiophen-2-yl)-1H-benzo[d]imidazol-1-yl)phen...)
Show SMILES Oc1ccc(cc1)-n1c(nc2ccccc12)-c1cccs1
Show InChI InChI=1S/C17H12N2OS/c20-13-9-7-12(8-10-13)19-15-5-2-1-4-14(15)18-17(19)16-6-3-11-21-16/h1-11,20H
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n/an/a 49.7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175412
PNG
(4-(3-(4-hydroxyphenyl)-1H-indol-2-yl)phenol | CHEM...)
Show SMILES Oc1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(O)cc1
Show InChI InChI=1S/C20H15NO2/c22-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)21-20(19)14-7-11-16(23)12-8-14/h1-12,21-23H
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n/an/a 94.8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175414
PNG
(4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol | CHEM...)
Show SMILES Oc1ccc(cc1)-n1c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C19H14N2O/c22-16-12-10-15(11-13-16)21-18-9-5-4-8-17(18)20-19(21)14-6-2-1-3-7-14/h1-13,22H
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n/an/a 137n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175420
PNG
(4-(2-(2-chlorophenyl)-1H-benzo[d]imidazol-1-yl)phe...)
Show SMILES Oc1ccc(cc1)-n1c(nc2ccccc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H13ClN2O/c20-16-6-2-1-5-15(16)19-21-17-7-3-4-8-18(17)22(19)13-9-11-14(23)12-10-13/h1-12,23H
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n/an/a 149n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175411
PNG
(2,3-diphenyl-1H-indole | CHEMBL200719)
Show SMILES c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
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n/an/a 171n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175418
PNG
(4-(3-phenyl-1H-indol-2-yl)phenol | CHEMBL199766)
Show SMILES Oc1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C20H15NO/c22-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)21-20/h1-13,21-22H
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n/an/a 355n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175415
PNG
(4-(5-phenyl-2-(trifluoromethyl)-1H-imidazol-4-yl)p...)
Show SMILES Oc1ccc(cc1)-c1[nH]c(nc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)15-20-13(10-4-2-1-3-5-10)14(21-15)11-6-8-12(22)9-7-11/h1-9,22H,(H,20,21)
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n/an/a 403n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175417
PNG
(4-(2-(3-methylisoxazol-4-yl)-1H-benzo[d]imidazol-1...)
Show SMILES Cc1nocc1-c1nc2ccccc2n1-c1ccc(O)cc1
Show InChI InChI=1S/C17H13N3O2/c1-11-14(10-22-19-11)17-18-15-4-2-3-5-16(15)20(17)12-6-8-13(21)9-7-12/h2-10,21H,1H3
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n/an/a 1.16E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175420
PNG
(4-(2-(2-chlorophenyl)-1H-benzo[d]imidazol-1-yl)phe...)
Show SMILES Oc1ccc(cc1)-n1c(nc2ccccc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H13ClN2O/c20-16-6-2-1-5-15(16)19-21-17-7-3-4-8-18(17)22(19)13-9-11-14(23)12-10-13/h1-12,23H
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n/an/a 1.73E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175414
PNG
(4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol | CHEM...)
Show SMILES Oc1ccc(cc1)-n1c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C19H14N2O/c22-16-12-10-15(11-13-16)21-18-9-5-4-8-17(18)20-19(21)14-6-2-1-3-7-14/h1-13,22H
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n/an/a 1.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175410
PNG
(4-(2-(1-methyl-1H-pyrrol-2-yl)-1H-benzo[d]imidazol...)
Show SMILES Cn1cccc1-c1nc2ccccc2n1-c1ccc(O)cc1
Show InChI InChI=1S/C18H15N3O/c1-20-12-4-7-17(20)18-19-15-5-2-3-6-16(15)21(18)13-8-10-14(22)11-9-13/h2-12,22H,1H3
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n/an/a 2.94E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175416
PNG
(4-(2-(thiophen-2-yl)-1H-benzo[d]imidazol-1-yl)phen...)
Show SMILES Oc1ccc(cc1)-n1c(nc2ccccc12)-c1cccs1
Show InChI InChI=1S/C17H12N2OS/c20-13-9-7-12(8-10-13)19-15-5-2-1-4-14(15)18-17(19)16-6-3-11-21-16/h1-11,20H
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n/an/a>6.26E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175411
PNG
(2,3-diphenyl-1H-indole | CHEMBL200719)
Show SMILES c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
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n/an/a 6.95E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175418
PNG
(4-(3-phenyl-1H-indol-2-yl)phenol | CHEMBL199766)
Show SMILES Oc1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C20H15NO/c22-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)21-20/h1-13,21-22H
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n/an/a 8.31E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Rattus norvegicus)		BDBM50175410
PNG
(4-(2-(1-methyl-1H-pyrrol-2-yl)-1H-benzo[d]imidazol...)
Show SMILES Cn1cccc1-c1nc2ccccc2n1-c1ccc(O)cc1
Show InChI InChI=1S/C18H15N3O/c1-20-12-4-7-17(20)18-19-15-5-2-3-6-16(15)21(18)13-8-10-14(22)11-9-13/h2-12,22H,1H3
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n/an/an/an/a 40.8n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Effect on ERbeta in rat ovary granulosa cell line transfected with ER responsive luciferase reporter

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175419
PNG
(4-(2-phenyl-1H-indol-3-yl)phenol | CHEMBL371012)
Show SMILES Oc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H15NO/c22-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)21-20(19)15-6-2-1-3-7-15/h1-13,21-22H
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n/an/an/an/a 38.5n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Effect on ERalpha in MCF7 cell line transfected with ER responsive luciferase reporter

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175410
PNG
(4-(2-(1-methyl-1H-pyrrol-2-yl)-1H-benzo[d]imidazol...)
Show SMILES Cn1cccc1-c1nc2ccccc2n1-c1ccc(O)cc1
Show InChI InChI=1S/C18H15N3O/c1-20-12-4-7-17(20)18-19-15-5-2-3-6-16(15)21(18)13-8-10-14(22)11-9-13/h2-12,22H,1H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Effect on ERalpha in MCF7 cell line transfected with ER responsive luciferase reporter

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Rattus norvegicus)		BDBM50175415
PNG
(4-(5-phenyl-2-(trifluoromethyl)-1H-imidazol-4-yl)p...)
Show SMILES Oc1ccc(cc1)-c1[nH]c(nc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)15-20-13(10-4-2-1-3-5-10)14(21-15)11-6-8-12(22)9-7-11/h1-9,22H,(H,20,21)
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n/an/an/an/a 6.70n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Effect on ERbeta in rat ovary granulosa cell line transfected with ER responsive luciferase reporter

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Rattus norvegicus)		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/an/an/a 0.140n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Effect on ERbeta in rat ovary granulosa cell line transfected with ER responsive luciferase reporter

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM50175415
PNG
(4-(5-phenyl-2-(trifluoromethyl)-1H-imidazol-4-yl)p...)
Show SMILES Oc1ccc(cc1)-c1[nH]c(nc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)15-20-13(10-4-2-1-3-5-10)14(21-15)11-6-8-12(22)9-7-11/h1-9,22H,(H,20,21)
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n/an/an/an/a 243n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Effect on ERalpha in MCF7 cell line transfected with ER responsive luciferase reporter

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Rattus norvegicus)		BDBM50175419
PNG
(4-(2-phenyl-1H-indol-3-yl)phenol | CHEMBL371012)
Show SMILES Oc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H15NO/c22-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)21-20(19)15-6-2-1-3-7-15/h1-13,21-22H
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n/an/an/an/a 1.09n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Effect on ERbeta in rat ovary granulosa cell line transfected with ER responsive luciferase reporter

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
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/an/an/a 0.0100n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Effect on ERalpha in MCF7 cell line transfected with ER responsive luciferase reporter

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%