Found 569 hits with Last Name = 'norman' and Initial = 'ra' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Estrogen receptor
(Homo sapiens (Human)) | BDBM50169743
((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 | PDB
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| n/a | n/a | 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at ERalpha receptor in human MCF7 cells |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50125052
(CHEMBL3623004 | US10130617, Example 1 | US20240043...)Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 0.138 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at ERalpha receptor in human MCF7 cells |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084948
(CHEMBL195515 | GW7604)Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+ | PDB
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| n/a | n/a | 0.145 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ERalpha receptor (unknown origin) |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084948
(CHEMBL195515 | GW7604)Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+ | PDB
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| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay |
J Med Chem 58: 3522-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00066
BindingDB Entry DOI: 10.7270/Q2M32XGF |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50169743
((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 | PDB
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| n/a | n/a | 0.209 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50125052
(CHEMBL3623004 | US10130617, Example 1 | US20240043...)Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1 | PDB
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| n/a | n/a | 0.209 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at ERalpha receptor in human MCF7 cells in presence of 0.25 uM tamoxifen |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153694
(CHEMBL3774584)Show SMILES C[C@@H]1Cc2cc(O)ccc2[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C23H24F3NO3/c1-13-8-15-11-16(28)5-6-17(15)22(27(13)12-23(2,3)26)21-18(24)9-14(10-19(21)25)4-7-20(29)30/h4-7,9-11,13,22,28H,8,12H2,1-3H3,(H,29,30)/b7-4+/t13-,22+/m1/s1 | PDB
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| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50125052
(CHEMBL3623004 | US10130617, Example 1 | US20240043...)Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 0.282 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM20608
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25- | PDB
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| PDB
Article
PubMed
| n/a | n/a | 0.309 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ERalpha receptor (unknown origin) |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153695
(CHEMBL3775908)Show SMILES C[C@H](CF)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C23H24F3NO3/c1-13(11-24)12-27-14(2)7-16-10-17(28)4-5-18(16)23(27)22-19(25)8-15(9-20(22)26)3-6-21(29)30/h3-6,8-10,13-14,23,28H,7,11-12H2,1-2H3,(H,29,30)/b6-3+/t13-,14-,23+/m1/s1 | PDB
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| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153696
(CHEMBL3774690)Show SMILES C[C@H](CF)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C23H26FNO3/c1-15(13-24)14-25-16(2)11-19-12-20(26)8-9-21(19)23(25)18-6-3-17(4-7-18)5-10-22(27)28/h3-10,12,15-16,23,26H,11,13-14H2,1-2H3,(H,27,28)/b10-5+/t15-,16-,23-/m1/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084973
(CHEMBL3427401)Show SMILES Cc1cc(F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(-5.36,-.45,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-7.73,3.72,;-5.33,3.86,;-4,3.08,;-4.01,1.54,;-2.68,.77,;-1.33,1.54,;-1.33,3.08,;.01,3.84,;1.34,3.07,;2.68,3.83,;2.69,5.37,;4.02,6.14,;4.03,7.68,;5.37,8.44,;6.43,7.82,;5.37,9.68,;1.36,6.15,;.02,5.38,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-3.75,-1.39,)| Show InChI InChI=1S/C25H17FO6/c1-14-12-16(26)5-9-19(14)23-24(20-10-6-17(27)13-21(20)32-25(23)30)31-18-7-2-15(3-8-18)4-11-22(28)29/h2-13,27H,1H3,(H,28,29)/b11-4+ | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay |
J Med Chem 58: 3522-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00066
BindingDB Entry DOI: 10.7270/Q2M32XGF |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50125055
(CHEMBL3623002)Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H26F2N2O2/c1-14(2)13-29-15(3)10-18-17-6-4-5-7-21(17)28-24(18)25(29)23-19(26)11-16(12-20(23)27)8-9-22(30)31/h4-9,11-12,14-15,25,28H,10,13H2,1-3H3,(H,30,31)/b9-8+/t15-,25-/m1/s1 | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 0.417 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at ERalpha receptor in human MCF7 cells |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084974
(CHEMBL3427402)Show SMILES Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,.26,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;8,-3.85,;9.33,-3.08,;9.33,-2.06,;10.4,-2.47,;10.22,-3.6,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)| Show InChI InChI=1S/C26H17F3O7/c1-14-12-18(36-26(27,28)29)8-10-19(14)23-24(20-9-5-16(30)13-21(20)35-25(23)33)34-17-6-2-15(3-7-17)4-11-22(31)32/h2-13,30H,1H3,(H,31,32)/b11-4+ | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay |
J Med Chem 58: 3522-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00066
BindingDB Entry DOI: 10.7270/Q2M32XGF |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153661
(CHEMBL3774510)Show SMILES C[C@H](CF)CN1[C@@H](c2ccc(O)cc2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H26F3NO3/c1-14(12-25)13-28-23(18-6-5-17(29)10-16(18)11-24(28,2)3)22-19(26)8-15(9-20(22)27)4-7-21(30)31/h4-10,14,23,29H,11-13H2,1-3H3,(H,30,31)/b7-4+/t14-,23+/m1/s1 | PDB
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PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50125055
(CHEMBL3623002)Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H26F2N2O2/c1-14(2)13-29-15(3)10-18-17-6-4-5-7-21(17)28-24(18)25(29)23-19(26)11-16(12-20(23)27)8-9-22(30)31/h4-9,11-12,14-15,25,28H,10,13H2,1-3H3,(H,30,31)/b9-8+/t15-,25-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 0.708 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ERalpha receptor (unknown origin) |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM20608
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25- | PDB
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| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50125052
(CHEMBL3623004 | US10130617, Example 1 | US20240043...)Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ERalpha receptor (unknown origin) |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50125052
(CHEMBL3623004 | US10130617, Example 1 | US20240043...)Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ERalpha receptor (unknown origin) |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50169743
((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ERalpha receptor (unknown origin) |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50125055
(CHEMBL3623002)Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H26F2N2O2/c1-14(2)13-29-15(3)10-18-17-6-4-5-7-21(17)28-24(18)25(29)23-19(26)11-16(12-20(23)27)8-9-22(30)31/h4-9,11-12,14-15,25,28H,10,13H2,1-3H3,(H,30,31)/b9-8+/t15-,25-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50125054
(CHEMBL3623003 | US10130617, Example 2 | WO-2014/19...)Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H27FN2O2/c1-16-14-20-19-6-4-5-7-21(19)27-23(20)24(28(16)15-25(2,3)26)18-11-8-17(9-12-18)10-13-22(29)30/h4-13,16,24,27H,14-15H2,1-3H3,(H,29,30)/b13-10+/t16-,24-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at ERalpha receptor in human MCF7 cells |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153708
(CHEMBL3774777)Show SMILES OC(=O)\C=C\c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C25H20F3NO4/c26-25(27,28)33-21-9-6-19(7-10-21)29-14-13-18-15-20(30)8-11-22(18)24(29)17-4-1-16(2-5-17)3-12-23(31)32/h1-12,15,24,30H,13-14H2,(H,31,32)/b12-3+ | PDB
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| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153694
(CHEMBL3774584)Show SMILES C[C@@H]1Cc2cc(O)ccc2[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C23H24F3NO3/c1-13-8-15-11-16(28)5-6-17(15)22(27(13)12-23(2,3)26)21-18(24)9-14(10-19(21)25)4-7-20(29)30/h4-7,9-11,13,22,28H,8,12H2,1-3H3,(H,29,30)/b7-4+/t13-,22+/m1/s1 | PDB
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| n/a | n/a | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084971
(CHEMBL3427399)Show SMILES Cc1cc(OC(F)(F)F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(2.93,3.7,;4,3.08,;5.33,3.85,;6.67,3.07,;8,3.84,;9.34,3.07,;10.4,3.68,;9.33,1.83,;10.4,2.45,;6.66,1.53,;5.33,.77,;4,1.54,;2.66,.77,;1.33,1.54,;1.33,3.08,;0,3.85,;0,5.39,;-1.33,6.16,;-2.66,5.39,;-4,6.16,;-5.33,5.39,;-6.67,6.16,;-6.67,7.39,;-7.74,5.54,;-2.67,3.85,;-1.33,3.08,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,)| Show InChI InChI=1S/C27H19F3O6/c1-15-12-19(36-27(28,29)30)8-10-20(15)25-22(21-9-7-18(31)14-23(21)35-26(25)34)13-17-4-2-16(3-5-17)6-11-24(32)33/h2-12,14,31H,13H2,1H3,(H,32,33)/b11-6+ | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay |
J Med Chem 58: 3522-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00066
BindingDB Entry DOI: 10.7270/Q2M32XGF |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50125054
(CHEMBL3623003 | US10130617, Example 2 | WO-2014/19...)Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H27FN2O2/c1-16-14-20-19-6-4-5-7-21(19)27-23(20)24(28(16)15-25(2,3)26)18-11-8-17(9-12-18)10-13-22(29)30/h4-13,16,24,27H,14-15H2,1-3H3,(H,29,30)/b13-10+/t16-,24-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ERalpha receptor (unknown origin) |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153697
(CHEMBL3774737)Show SMILES COC[C@H](C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H27F2NO4/c1-14(13-31-3)12-27-15(2)8-17-11-18(28)5-6-19(17)24(27)23-20(25)9-16(10-21(23)26)4-7-22(29)30/h4-7,9-11,14-15,24,28H,8,12-13H2,1-3H3,(H,29,30)/b7-4+/t14-,15-,24+/m1/s1 | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153658
(CHEMBL3775378)Show SMILES CC(C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C23H27NO3/c1-15(2)14-24-16(3)12-19-13-20(25)9-10-21(19)23(24)18-7-4-17(5-8-18)6-11-22(26)27/h4-11,13,15-16,23,25H,12,14H2,1-3H3,(H,26,27)/b11-6+/t16-,23-/m1/s1 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153662
(CHEMBL3775833)Show SMILES C[C@H](CF)CN1[C@H](c2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2CC1(C)C |r| Show InChI InChI=1S/C24H28FNO3/c1-16(14-25)15-26-23(18-7-4-17(5-8-18)6-11-22(28)29)21-10-9-20(27)12-19(21)13-24(26,2)3/h4-12,16,23,27H,13-15H2,1-3H3,(H,28,29)/b11-6+/t16-,23-/m1/s1 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084986
(CHEMBL3427405)Show SMILES Cc1cc(F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2c(F)cc(O)cc2oc1=O |(5.33,.46,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;7.73,-3.7,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.86,-2.98,;.87,-4.17,;1.4,-5.61,;.41,-6.79,;-1.1,-6.53,;-2.1,-7.71,;-3.61,-7.44,;-4.61,-8.62,;-4.19,-9.78,;-5.82,-8.4,;-1.63,-5.08,;-.64,-3.9,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)| Show InChI InChI=1S/C26H18F2O5/c1-14-10-17(27)7-8-19(14)24-20(11-16-4-2-15(3-5-16)6-9-23(30)31)25-21(28)12-18(29)13-22(25)33-26(24)32/h2-10,12-13,29H,11H2,1H3,(H,30,31)/b9-6+ | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay |
J Med Chem 58: 3522-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00066
BindingDB Entry DOI: 10.7270/Q2M32XGF |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153695
(CHEMBL3775908)Show SMILES C[C@H](CF)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C23H24F3NO3/c1-13(11-24)12-27-14(2)7-16-10-17(28)4-5-18(16)23(27)22-19(25)8-15(9-20(22)26)3-6-21(29)30/h3-6,8-10,13-14,23,28H,7,11-12H2,1-2H3,(H,29,30)/b6-3+/t13-,14-,23+/m1/s1 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084970
(CHEMBL3427398)Show SMILES Cc1cc(Cl)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,-.46,;5.33,.77,;6.66,1.54,;6.66,3.08,;7.73,3.7,;5.33,3.85,;3.99,3.08,;4,1.54,;2.66,.77,;1.33,1.54,;1.33,3.08,;0,3.85,;0,5.39,;-1.33,6.16,;-2.66,5.39,;-4,6.16,;-5.33,5.39,;-6.67,6.16,;-6.67,7.39,;-7.74,5.54,;-2.67,3.85,;-1.33,3.08,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,)| Show InChI InChI=1S/C26H19ClO5/c1-15-12-18(27)7-9-20(15)25-22(21-10-8-19(28)14-23(21)32-26(25)31)13-17-4-2-16(3-5-17)6-11-24(29)30/h2-12,14,28H,13H2,1H3,(H,29,30)/b11-6+ | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay |
J Med Chem 58: 3522-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00066
BindingDB Entry DOI: 10.7270/Q2M32XGF |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153692
(CHEMBL3775766)Show SMILES CC(C)CN1[C@@H](c2ccc(O)cc2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H27F2NO3/c1-14(2)13-27-23(18-7-6-17(28)11-16(18)12-24(27,3)4)22-19(25)9-15(10-20(22)26)5-8-21(29)30/h5-11,14,23,28H,12-13H2,1-4H3,(H,29,30)/b8-5+/t23-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084965
(CHEMBL3427393)Show SMILES OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc3cc(O)ccc23)cc1 Show InChI InChI=1S/C26H17F3O6/c27-26(28,29)35-19-9-6-17(7-10-19)24-21(20-11-8-18(30)14-22(20)34-25(24)33)13-16-3-1-15(2-4-16)5-12-23(31)32/h1-12,14,30H,13H2,(H,31,32)/b12-5+ | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay |
J Med Chem 58: 3522-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00066
BindingDB Entry DOI: 10.7270/Q2M32XGF |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153661
(CHEMBL3774510)Show SMILES C[C@H](CF)CN1[C@@H](c2ccc(O)cc2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H26F3NO3/c1-14(12-25)13-28-23(18-6-5-17(29)10-16(18)11-24(28,2)3)22-19(26)8-15(9-20(22)27)4-7-21(30)31/h4-10,14,23,29H,11-13H2,1-3H3,(H,30,31)/b7-4+/t14-,23+/m1/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153693
(CHEMBL3775795)Show SMILES C[C@@H]1Cc2cc(O)ccc2[C@H](N1c1ccc(OC(F)(F)F)cc1)c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C26H22F3NO4/c1-16-14-19-15-21(31)9-12-23(19)25(18-5-2-17(3-6-18)4-13-24(32)33)30(16)20-7-10-22(11-8-20)34-26(27,28)29/h2-13,15-16,25,31H,14H2,1H3,(H,32,33)/b13-4+/t16-,25-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153692
(CHEMBL3775766)Show SMILES CC(C)CN1[C@@H](c2ccc(O)cc2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H27F2NO3/c1-14(2)13-27-23(18-7-6-17(28)11-16(18)12-24(27,3)4)22-19(25)9-15(10-20(22)26)5-8-21(29)30/h5-11,14,23,28H,12-13H2,1-4H3,(H,29,30)/b8-5+/t23-/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50420961
(CHEMBL2088096)Show SMILES COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)no4)n3)[nH]n2)cc(OC)c1 Show InChI InChI=1S/C22H25N7O3/c1-14-8-19(32-29-14)13-24-22-23-7-6-20(26-22)25-21-11-16(27-28-21)5-4-15-9-17(30-2)12-18(10-15)31-3/h6-12H,4-5,13H2,1-3H3,(H3,23,24,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili... |
J Med Chem 55: 5003-12 (2012)
Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50420953
(CHEMBL2088260)Show SMILES COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)on4)n3)[nH]n2)cc(OC)c1 Show InChI InChI=1S/C22H25N7O3/c1-14-8-17(29-32-14)13-24-22-23-7-6-20(26-22)25-21-11-16(27-28-21)5-4-15-9-18(30-2)12-19(10-15)31-3/h6-12H,4-5,13H2,1-3H3,(H3,23,24,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili... |
J Med Chem 55: 5003-12 (2012)
Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50125077
(CHEMBL3623001)Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H28N2O2/c1-16(2)15-27-17(3)14-21-20-6-4-5-7-22(20)26-24(21)25(27)19-11-8-18(9-12-19)10-13-23(28)29/h4-13,16-17,25-26H,14-15H2,1-3H3,(H,28,29)/b13-10+/t17-,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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Similars
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PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at ERalpha receptor in human MCF7 cells |
J Med Chem 58: 8128-40 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00984
BindingDB Entry DOI: 10.7270/Q2F76FCN |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084967
(CHEMBL3427395)Show SMILES OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(F)cc3Cl)c(=O)oc3cc(O)ccc23)cc1 |(-6.67,7.39,;-6.67,6.16,;-7.74,5.54,;-5.33,5.39,;-4,6.16,;-2.66,5.39,;-1.33,6.16,;0,5.39,;0,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;4,1.54,;3.99,3.08,;5.33,3.85,;6.66,3.08,;7.73,3.7,;6.66,1.54,;5.33,.77,;5.33,-.46,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-3.75,-1.39,;-2.68,.77,;-1.33,1.54,;,.77,;-1.33,3.08,;-2.67,3.85,)| Show InChI InChI=1S/C25H16ClFO5/c26-21-12-16(27)6-8-19(21)24-20(18-9-7-17(28)13-22(18)32-25(24)31)11-15-3-1-14(2-4-15)5-10-23(29)30/h1-10,12-13,28H,11H2,(H,29,30)/b10-5+ | PDB
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay |
J Med Chem 58: 3522-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00066
BindingDB Entry DOI: 10.7270/Q2M32XGF |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153660
(CHEMBL3774447)Show SMILES CC(C)(F)CN1[C@H](c2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2CC1(C)C |r| Show InChI InChI=1S/C24H28FNO3/c1-23(2,25)15-26-22(17-8-5-16(6-9-17)7-12-21(28)29)20-11-10-19(27)13-18(20)14-24(26,3)4/h5-13,22,27H,14-15H2,1-4H3,(H,28,29)/b12-7+/t22-/m1/s1 | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50420959
(CHEMBL2088095)Show SMILES Cc1cc(CNc2ncc(Br)c(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1 Show InChI InChI=1S/C20H20BrN7O/c1-13-9-16(29-28-13)11-22-20-23-12-17(21)19(25-20)24-18-10-15(26-27-18)8-7-14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3,(H3,22,23,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
MMDB
PC cid
PC sid
PDB
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Similars
| PDB
Article
PubMed
| n/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili... |
J Med Chem 55: 5003-12 (2012)
Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084974
(CHEMBL3427402)Show SMILES Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,.26,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;8,-3.85,;9.33,-3.08,;9.33,-2.06,;10.4,-2.47,;10.22,-3.6,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)| Show InChI InChI=1S/C26H17F3O7/c1-14-12-18(36-26(27,28)29)8-10-19(14)23-24(20-9-5-16(30)13-21(20)35-25(23)33)34-17-6-2-15(3-7-17)4-11-22(31)32/h2-13,30H,1H3,(H,31,32)/b11-4+ | PDB
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Suppression of ER alpha in human MCF7 cells after 24 hrs by immunostaining analysis |
J Med Chem 58: 3522-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00066
BindingDB Entry DOI: 10.7270/Q2M32XGF |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM12255
(AZD0530 | CHEMBL217092 | Compound 33 | N-(5-chloro...)Show SMILES CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 Show InChI InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
| Assay Description
This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob... |
J Med Chem 49: 6465-88 (2006)
Article DOI: 10.1021/jm060434q
BindingDB Entry DOI: 10.7270/Q2J67F5X |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50153697
(CHEMBL3774737)Show SMILES COC[C@H](C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H27F2NO4/c1-14(13-31-3)12-27-15(2)8-17-11-18(28)5-6-19(17)24(27)23-20(25)9-16(10-21(23)26)4-7-22(29)30/h4-7,9-11,14-15,24,28H,8,12-13H2,1-3H3,(H,29,30)/b7-4+/t14-,15-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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Patents
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PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay |
ACS Med Chem Lett 7: 94-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00413
BindingDB Entry DOI: 10.7270/Q2HD7XHZ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084966
(CHEMBL3427394)Show SMILES OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(F)cc3F)c(=O)oc3cc(O)ccc23)cc1 |(-6.67,7.39,;-6.67,6.16,;-7.74,5.54,;-5.33,5.39,;-4,6.16,;-2.66,5.39,;-1.33,6.16,;0,5.39,;0,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;4,1.54,;3.99,3.08,;5.33,3.85,;6.66,3.08,;7.73,3.7,;6.66,1.54,;5.33,.77,;5.33,-.46,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-3.75,-1.39,;-2.68,.77,;-1.33,1.54,;,.77,;-1.33,3.08,;-2.67,3.85,)| Show InChI InChI=1S/C25H16F2O5/c26-16-6-8-19(21(27)12-16)24-20(18-9-7-17(28)13-22(18)32-25(24)31)11-15-3-1-14(2-4-15)5-10-23(29)30/h1-10,12-13,28H,11H2,(H,29,30)/b10-5+ | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay |
J Med Chem 58: 3522-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00066
BindingDB Entry DOI: 10.7270/Q2M32XGF |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM7667
(4-[(4-{6-bromoimidazo[1,2-a]pyridin-3-yl}pyrimidin...)Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(Br)cn23)cc1 Show InChI InChI=1S/C20H19BrN6O3S/c1-30-11-10-24-31(28,29)16-5-3-15(4-6-16)25-20-22-9-8-17(26-20)18-12-23-19-7-2-14(21)13-27(18)19/h2-9,12-13,24H,10-11H2,1H3,(H,22,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
AstraZeneca
| Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb. |
Bioorg Med Chem Lett 14: 2249-52 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM12241
(AZD0530 analogue 19 | N-(5-chloro-2H-1,3-benzodiox...)Show SMILES Clc1ccc2OCOc2c1Nc1ncnc2cc(OCCOc3ccncc3)cc(OC3CCOCC3)c12 Show InChI InChI=1S/C27H25ClN4O6/c28-20-1-2-22-26(37-16-36-22)25(20)32-27-24-21(30-15-31-27)13-19(14-23(24)38-18-5-9-33-10-6-18)35-12-11-34-17-3-7-29-8-4-17/h1-4,7-8,13-15,18H,5-6,9-12,16H2,(H,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
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Similars
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
| Assay Description
This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob... |
J Med Chem 49: 6465-88 (2006)
Article DOI: 10.1021/jm060434q
BindingDB Entry DOI: 10.7270/Q2J67F5X |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM7679
(Imidazo[1,2-b]pyridazine deriv. 4b | N-(2-methoxye...)Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2c(C)nc3cccnn23)cc1 Show InChI InChI=1S/C20H21N7O3S/c1-14-19(27-18(24-14)4-3-10-22-27)17-9-11-21-20(26-17)25-15-5-7-16(8-6-15)31(28,29)23-12-13-30-2/h3-11,23H,12-13H2,1-2H3,(H,21,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
AstraZeneca
| Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb. |
Bioorg Med Chem Lett 14: 2249-52 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF |
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Ligand-Target Pair | |
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