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PubMed code 25941555

Compile data set for download or QSAR
Found 75 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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089636
PNG
(CHEMBL3578271)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C25H19ClFN3O3/c1-15(17-7-10-19(27)11-8-17)30-23(31)25(33-24(30)32,14-16-5-3-2-4-6-16)22-28-20-12-9-18(26)13-21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/s2
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin)


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089599
PNG
(CHEMBL3578290)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cncnc1)c1ccc(F)cc1
Show InChI InChI=1/C29H22FN5O3/c1-18(20-7-10-23(30)11-8-20)35-27(36)29(38-28(35)37,14-19-5-3-2-4-6-19)26-33-24-12-9-21(13-25(24)34-26)22-15-31-17-32-16-22/h2-13,15-18H,14H2,1H3,(H,33,34)/t18-,29-/s2
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089608
PNG
(CHEMBL3578282)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cnn(C)c1)c1ccc(F)cc1
Show InChI InChI=1/C29H24FN5O3/c1-18(20-8-11-23(30)12-9-20)35-27(36)29(38-28(35)37,15-19-6-4-3-5-7-19)26-32-24-13-10-21(14-25(24)33-26)22-16-31-34(2)17-22/h3-14,16-18H,15H2,1-2H3,(H,32,33)/t18-,29-/s2
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n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089603
PNG
(CHEMBL3578286)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1/C30H23FN4O3/c1-19(21-9-12-24(31)13-10-21)35-28(36)30(38-29(35)37,17-20-6-3-2-4-7-20)27-33-25-14-11-22(16-26(25)34-27)23-8-5-15-32-18-23/h2-16,18-19H,17H2,1H3,(H,33,34)/t19-,30-/s2
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089601
PNG
(CHEMBL3578288)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1ccncc1)c1ccc(F)cc1
Show InChI InChI=1/C30H23FN4O3/c1-19(21-7-10-24(31)11-8-21)35-28(36)30(38-29(35)37,18-20-5-3-2-4-6-20)27-33-25-12-9-23(17-26(25)34-27)22-13-15-32-16-14-22/h2-17,19H,18H2,1H3,(H,33,34)/t19-,30-/s2
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089605
PNG
(CHEMBL3578284)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1conc1C)c1ccc(F)cc1
Show InChI InChI=1/C29H23FN4O4/c1-17-23(16-37-33-17)21-10-13-24-25(14-21)32-26(31-24)29(15-19-6-4-3-5-7-19)27(35)34(28(36)38-29)18(2)20-8-11-22(30)12-9-20/h3-14,16,18H,15H2,1-2H3,(H,31,32)/t18-,29-/s2
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n/an/a 39n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089604
PNG
(CHEMBL3578285)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)N1CCOCC1)c1ccc(F)cc1
Show InChI InChI=1/C29H27FN4O4/c1-19(21-7-9-22(30)10-8-21)34-27(35)29(38-28(34)36,18-20-5-3-2-4-6-20)26-31-24-12-11-23(17-25(24)32-26)33-13-15-37-16-14-33/h2-12,17,19H,13-16,18H2,1H3,(H,31,32)/t19-,29-/s2
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089609
PNG
(CHEMBL3578281)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cn[nH]c1)c1ccc(F)cc1
Show InChI InChI=1/C28H22FN5O3/c1-17(19-7-10-22(29)11-8-19)34-26(35)28(37-27(34)36,14-18-5-3-2-4-6-18)25-32-23-12-9-20(13-24(23)33-25)21-15-30-31-16-21/h2-13,15-17H,14H2,1H3,(H,30,31)(H,32,33)/t17-,28-/s2
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n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089606
PNG
(CHEMBL3578283)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cnoc1)c1ccc(F)cc1
Show InChI InChI=1/C28H21FN4O4/c1-17(19-7-10-22(29)11-8-19)33-26(34)28(37-27(33)35,14-18-5-3-2-4-6-18)25-31-23-12-9-20(13-24(23)32-25)21-15-30-36-16-21/h2-13,15-17H,14H2,1H3,(H,31,32)/t17-,28-/s2
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n/an/a 62n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089600
PNG
(CHEMBL3578289)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1Cl)c1ccc(F)cc1
Show InChI InChI=1/C30H22ClFN4O3/c1-18(20-9-12-22(32)13-10-20)36-28(37)30(39-29(36)38,17-19-6-3-2-4-7-19)27-34-24-14-11-21(16-25(24)35-27)23-8-5-15-33-26(23)31/h2-16,18H,17H2,1H3,(H,34,35)/t18-,30-/s2
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089598
PNG
(CHEMBL3578291)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(F)cccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C25H19F2N3O3/c1-15(17-10-12-18(26)13-11-17)30-23(31)25(33-24(30)32,14-16-6-3-2-4-7-16)22-28-20-9-5-8-19(27)21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/s2
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n/an/a 72n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089633
PNG
(CHEMBL3578274)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1/C26H19F4N3O3/c1-15(17-7-10-19(27)11-8-17)33-23(34)25(36-24(33)35,14-16-5-3-2-4-6-16)22-31-20-12-9-18(26(28,29)30)13-21(20)32-22/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/s2
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089602
PNG
(CHEMBL3578287)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1ccccn1)c1ccc(F)cc1
Show InChI InChI=1/C30H23FN4O3/c1-19(21-10-13-23(31)14-11-21)35-28(36)30(38-29(35)37,18-20-7-3-2-4-8-20)27-33-25-15-12-22(17-26(25)34-27)24-9-5-6-16-32-24/h2-17,19H,18H2,1H3,(H,33,34)/t19-,30-/s2
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089615
PNG
(CHEMBL3578280)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-n1cnnn1)c1ccc(F)cc1
Show InChI InChI=1/C26H20FN7O3/c1-16(18-7-9-19(27)10-8-18)34-24(35)26(37-25(34)36,14-17-5-3-2-4-6-17)23-29-21-12-11-20(13-22(21)30-23)33-15-28-31-32-33/h2-13,15-16H,14H2,1H3,(H,29,30)/t16-,26-/s2
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089607
PNG
(CHEMBL3576885)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1
Show InChI InChI=1/C28H22FN5O3/c1-17(19-7-10-21(29)11-8-19)34-26(35)28(37-27(34)36,16-18-5-3-2-4-6-18)25-31-23-12-9-20(15-24(23)32-25)22-13-14-30-33-22/h2-15,17H,16H2,1H3,(H,30,33)(H,31,32)/t17-,28-/s2
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089597
PNG
(CHEMBL3578292)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(Cl)cccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C25H19ClFN3O3/c1-15(17-10-12-18(27)13-11-17)30-23(31)25(33-24(30)32,14-16-6-3-2-4-7-16)22-28-20-9-5-8-19(26)21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/s2
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089596
PNG
(CHEMBL3578293)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1/C26H19F4N3O3/c1-15(17-10-12-18(27)13-11-17)33-23(34)25(36-24(33)35,14-16-6-3-2-4-7-16)22-31-20-9-5-8-19(21(20)32-22)26(28,29)30/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/s2
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089590
PNG
(CHEMBL3578298)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)-c1cnn(C)c1)c1ccc(F)cc1
Show InChI InChI=1/C29H24FN5O3/c1-18(20-11-13-22(30)14-12-20)35-27(36)29(38-28(35)37,15-19-7-4-3-5-8-19)26-32-24-10-6-9-23(25(24)33-26)21-16-31-34(2)17-21/h3-14,16-18H,15H2,1-2H3,(H,32,33)/t18-,29-/s2
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089636
PNG
(CHEMBL3578271)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C25H19ClFN3O3/c1-15(17-7-10-19(27)11-8-17)30-23(31)25(33-24(30)32,14-16-5-3-2-4-6-16)22-28-20-12-9-18(26)13-21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/s2
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089589
PNG
(CHEMBL3578299)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)-c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1/C30H23FN4O3/c1-19(21-12-14-23(31)15-13-21)35-28(36)30(38-29(35)37,17-20-7-3-2-4-8-20)27-33-25-11-5-10-24(26(25)34-27)22-9-6-16-32-18-22/h2-16,18-19H,17H2,1H3,(H,33,34)/t19-,30-/s2
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089632
PNG
(CHEMBL3578275)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(OC(F)(F)F)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H19F4N3O4/c1-15(17-7-9-18(27)10-8-17)33-23(34)25(37-24(33)35,14-16-5-3-2-4-6-16)22-31-20-12-11-19(13-21(20)32-22)36-26(28,29)30/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/s2
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089635
PNG
(CHEMBL3578272)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2ccccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C25H20FN3O3/c1-16(18-11-13-19(26)14-12-18)29-23(30)25(32-24(29)31,15-17-7-3-2-4-8-17)22-27-20-9-5-6-10-21(20)28-22/h2-14,16H,15H2,1H3,(H,27,28)/t16-,25-/s2
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089593
PNG
(CHEMBL3578295)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NS(C)(=O)=O)cccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-11-13-19(27)14-12-18)31-24(32)26(36-25(31)33,15-17-7-4-3-5-8-17)23-28-20-9-6-10-21(22(20)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 210n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089631
PNG
(CHEMBL3578276)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-8-10-19(27)11-9-18)31-24(32)26(36-25(31)33,15-17-6-4-3-5-7-17)23-28-21-13-12-20(14-22(21)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089634
PNG
(CHEMBL3578273)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(F)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C25H19F2N3O3/c1-15(17-7-9-18(26)10-8-17)30-23(31)25(33-24(30)32,14-16-5-3-2-4-6-16)22-28-20-12-11-19(27)13-21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/s2
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n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089588
PNG
(CHEMBL3578300)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)-c1ccncc1)c1ccc(F)cc1
Show InChI InChI=1/C30H23FN4O3/c1-19(21-10-12-23(31)13-11-21)35-28(36)30(38-29(35)37,18-20-6-3-2-4-7-20)27-33-25-9-5-8-24(26(25)34-27)22-14-16-32-17-15-22/h2-17,19H,18H2,1H3,(H,33,34)/t19-,30-/s2
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n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089587
PNG
(CHEMBL3578301)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)-c1cncnc1)c1ccc(F)cc1
Show InChI InChI=1/C29H22FN5O3/c1-18(20-10-12-22(30)13-11-20)35-27(36)29(38-28(35)37,14-19-6-3-2-4-7-19)26-33-24-9-5-8-23(25(24)34-26)21-15-31-17-32-16-21/h2-13,15-18H,14H2,1H3,(H,33,34)/t18-,29-/s2
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n/an/a 370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089629
PNG
(CHEMBL3578278)
Show SMILES CNC(=O)c1ccc2[nH]c(nc2c1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccc(F)cc2)C1=O
Show InChI InChI=1/C27H23FN4O4/c1-16(18-8-11-20(28)12-9-18)32-25(34)27(36-26(32)35,15-17-6-4-3-5-7-17)24-30-21-13-10-19(23(33)29-2)14-22(21)31-24/h3-14,16H,15H2,1-2H3,(H,29,33)(H,30,31)/t16-,27-/s2
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n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089628
PNG
(CHEMBL3578279)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C#N)c1ccc(F)cc1
Show InChI InChI=1/C26H19FN4O3/c1-16(19-8-10-20(27)11-9-19)31-24(32)26(34-25(31)33,14-17-5-3-2-4-6-17)23-29-21-12-7-18(15-28)13-22(21)30-23/h2-13,16H,14H2,1H3,(H,29,30)/t16-,26-/s2
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n/an/a 420n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50228080
PNG
(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
Show InChI InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/s2
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n/an/a 670n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CHOK1 cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with st...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089592
PNG
(CHEMBL3578296)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)-c1cnoc1)c1ccc(F)cc1
Show InChI InChI=1/C28H21FN4O4/c1-17(19-10-12-21(29)13-11-19)33-26(34)28(37-27(33)35,14-18-6-3-2-4-7-18)25-31-23-9-5-8-22(24(23)32-25)20-15-30-36-16-20/h2-13,15-17H,14H2,1H3,(H,31,32)/t17-,28-/s2
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n/an/a 800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089595
PNG
(CHEMBL3578294)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NC(C)=O)cccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C27H23FN4O4/c1-16(19-11-13-20(28)14-12-19)32-25(34)27(36-26(32)35,15-18-7-4-3-5-8-18)24-30-22-10-6-9-21(23(22)31-24)29-17(2)33/h3-14,16H,15H2,1-2H3,(H,29,33)(H,30,31)/t16-,27-/s2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089630
PNG
(CHEMBL3578277)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NC(C)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C27H23FN4O4/c1-16(19-8-10-20(28)11-9-19)32-25(34)27(36-26(32)35,15-18-6-4-3-5-7-18)24-30-22-13-12-21(29-17(2)33)14-23(22)31-24/h3-14,16H,15H2,1-2H3,(H,29,33)(H,30,31)/t16-,27-/s2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50089591
PNG
(CHEMBL3578297)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(cccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1
Show InChI InChI=1/C28H22FN5O3/c1-17(19-10-12-20(29)13-11-19)34-26(35)28(37-27(34)36,16-18-6-3-2-4-7-18)25-31-23-9-5-8-21(24(23)32-25)22-14-15-30-33-22/h2-15,17H,16H2,1H3,(H,30,33)(H,31,32)/t17-,28-/s2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interactio...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50089604
PNG
(CHEMBL3578285)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)N1CCOCC1)c1ccc(F)cc1
Show InChI InChI=1/C29H27FN4O4/c1-19(21-7-9-22(30)10-8-21)34-27(35)29(38-28(34)36,18-20-5-3-2-4-6-20)26-31-24-12-11-23(17-25(24)32-26)33-13-15-37-16-14-33/h2-12,17,19H,13-16,18H2,1H3,(H,31,32)/t19-,29-/s2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor beta expressed in human U2OS cells assessed as inhibition of D(-)-norgestrel-induced protein inter...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50089636
PNG
(CHEMBL3578271)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C25H19ClFN3O3/c1-15(17-7-10-19(27)11-8-17)30-23(31)25(33-24(30)32,14-16-5-3-2-4-6-16)22-28-20-12-9-18(26)13-21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/s2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor beta assessed as inhibition of agonist-induced protein interaction with steroid receptor co-activator ...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50089636
PNG
(CHEMBL3578271)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C25H19ClFN3O3/c1-15(17-7-10-19(27)11-8-17)30-23(31)25(33-24(30)32,14-16-5-3-2-4-6-16)22-28-20-12-9-18(26)13-21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/s2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor beta expressed in human U2OS cells assessed as inhibition of D(-)-norgestrel-induced protein inter...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50089607
PNG
(CHEMBL3576885)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1
Show InChI InChI=1/C28H22FN5O3/c1-17(19-7-10-21(29)11-8-19)34-26(35)28(37-27(34)36,16-18-5-3-2-4-6-18)25-31-23-12-9-20(15-24(23)32-25)22-13-14-30-33-22/h2-15,17H,16H2,1H3,(H,30,33)(H,31,32)/t17-,28-/s2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor beta assessed as inhibition of agonist-induced protein interaction with steroid receptor co-activator ...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50089603
PNG
(CHEMBL3578286)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1/C30H23FN4O3/c1-19(21-9-12-24(31)13-10-21)35-28(36)30(38-29(35)37,17-20-6-3-2-4-7-20)27-33-25-14-11-22(16-26(25)34-27)23-8-5-15-32-18-23/h2-16,18-19H,17H2,1H3,(H,33,34)/t19-,30-/s2
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor beta assessed as inhibition of agonist-induced protein interaction with steroid receptor co-activator ...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50089633
PNG
(CHEMBL3578274)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1/C26H19F4N3O3/c1-15(17-7-10-19(27)11-8-17)33-23(34)25(36-24(33)35,14-16-5-3-2-4-6-16)22-31-20-12-9-18(26(28,29)30)13-21(20)32-22/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/s2
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor beta assessed as inhibition of agonist-induced protein interaction with steroid receptor co-activator ...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50089605
PNG
(CHEMBL3578284)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1conc1C)c1ccc(F)cc1
Show InChI InChI=1/C29H23FN4O4/c1-17-23(16-37-33-17)21-10-13-24-25(14-21)32-26(31-24)29(15-19-6-4-3-5-7-19)27(35)34(28(36)38-29)18(2)20-8-11-22(30)12-9-20/h3-14,16,18H,15H2,1-2H3,(H,31,32)/t18-,29-/s2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor beta expressed in human U2OS cells assessed as inhibition of D(-)-norgestrel-induced protein inter...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50089605
PNG
(CHEMBL3578284)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1conc1C)c1ccc(F)cc1
Show InChI InChI=1/C29H23FN4O4/c1-17-23(16-37-33-17)21-10-13-24-25(14-21)32-26(31-24)29(15-19-6-4-3-5-7-19)27(35)34(28(36)38-29)18(2)20-8-11-22(30)12-9-20/h3-14,16,18H,15H2,1-2H3,(H,31,32)/t18-,29-/s2
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor expressed in CHOK1 cells assessed as inhibition of dexamethasone-induced protein interaction wit...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50089607
PNG
(CHEMBL3576885)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1
Show InChI InChI=1/C28H22FN5O3/c1-17(19-7-10-21(29)11-8-19)34-26(35)28(37-27(34)36,16-18-5-3-2-4-6-18)25-31-23-12-9-20(15-24(23)32-25)22-13-14-30-33-22/h2-15,17H,16H2,1H3,(H,30,33)(H,31,32)/t17-,28-/s2
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor beta expressed in human U2OS cells assessed as inhibition of D(-)-norgestrel-induced protein inter...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50089603
PNG
(CHEMBL3578286)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1/C30H23FN4O3/c1-19(21-9-12-24(31)13-10-21)35-28(36)30(38-29(35)37,17-20-6-3-2-4-7-20)27-33-25-14-11-22(16-26(25)34-27)23-8-5-15-32-18-23/h2-16,18-19H,17H2,1H3,(H,33,34)/t19-,30-/s2
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor beta expressed in human U2OS cells assessed as inhibition of D(-)-norgestrel-induced protein inter...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50089633
PNG
(CHEMBL3578274)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1/C26H19F4N3O3/c1-15(17-7-10-19(27)11-8-17)33-23(34)25(36-24(33)35,14-16-5-3-2-4-6-16)22-31-20-12-9-18(26(28,29)30)13-21(20)32-22/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/s2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50089607
PNG
(CHEMBL3576885)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1
Show InChI InChI=1/C28H22FN5O3/c1-17(19-7-10-21(29)11-8-19)34-26(35)28(37-27(34)36,16-18-5-3-2-4-6-18)25-31-23-12-9-20(15-24(23)32-25)22-13-14-30-33-22/h2-15,17H,16H2,1H3,(H,30,33)(H,31,32)/t17-,28-/s2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor expressed in CHOK1 cells assessed as inhibition of dexamethasone-induced protein interaction wit...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50089605
PNG
(CHEMBL3578284)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1conc1C)c1ccc(F)cc1
Show InChI InChI=1/C29H23FN4O4/c1-17-23(16-37-33-17)21-10-13-24-25(14-21)32-26(31-24)29(15-19-6-4-3-5-7-19)27(35)34(28(36)38-29)18(2)20-8-11-22(30)12-9-20/h3-14,16,18H,15H2,1-2H3,(H,31,32)/t18-,29-/s2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor beta assessed as inhibition of agonist-induced protein interaction with steroid receptor co-activator ...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50089633
PNG
(CHEMBL3578274)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1/C26H19F4N3O3/c1-15(17-7-10-19(27)11-8-17)33-23(34)25(36-24(33)35,14-16-5-3-2-4-6-16)22-31-20-12-9-18(26(28,29)30)13-21(20)32-22/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/s2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CHOK1 cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with st...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50089603
PNG
(CHEMBL3578286)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1/C30H23FN4O3/c1-19(21-9-12-24(31)13-10-21)35-28(36)30(38-29(35)37,17-20-6-3-2-4-7-20)27-33-25-14-11-22(16-26(25)34-27)23-8-5-15-32-18-23/h2-16,18-19H,17H2,1H3,(H,33,34)/t19-,30-/s2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor expressed in CHOK1 cells assessed as inhibition of dexamethasone-induced protein interaction wit...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50089636
PNG
(CHEMBL3578271)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C25H19ClFN3O3/c1-15(17-7-10-19(27)11-8-17)30-23(31)25(33-24(30)32,14-16-5-3-2-4-6-16)22-28-20-12-9-18(26)13-21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/s2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CHOK1 cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with st...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50089607
PNG
(CHEMBL3576885)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1
Show InChI InChI=1/C28H22FN5O3/c1-17(19-7-10-21(29)11-8-19)34-26(35)28(37-27(34)36,16-18-5-3-2-4-6-18)25-31-23-12-9-20(15-24(23)32-25)22-13-14-30-33-22/h2-15,17H,16H2,1H3,(H,30,33)(H,31,32)/t17-,28-/s2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CHOK1 cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with st...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50089633
PNG
(CHEMBL3578274)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1/C26H19F4N3O3/c1-15(17-7-10-19(27)11-8-17)33-23(34)25(36-24(33)35,14-16-5-3-2-4-6-16)22-31-20-12-9-18(26(28,29)30)13-21(20)32-22/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/s2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor beta expressed in human U2OS cells assessed as inhibition of D(-)-norgestrel-induced protein inter...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50089636
PNG
(CHEMBL3578271)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C25H19ClFN3O3/c1-15(17-7-10-19(27)11-8-17)30-23(31)25(33-24(30)32,14-16-5-3-2-4-6-16)22-28-20-12-9-18(26)13-21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/s2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50089605
PNG
(CHEMBL3578284)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1conc1C)c1ccc(F)cc1
Show InChI InChI=1/C29H23FN4O4/c1-17-23(16-37-33-17)21-10-13-24-25(14-21)32-26(31-24)29(15-19-6-4-3-5-7-19)27(35)34(28(36)38-29)18(2)20-8-11-22(30)12-9-20/h3-14,16,18H,15H2,1-2H3,(H,31,32)/t18-,29-/s2
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CHOK1 cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with st...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50089633
PNG
(CHEMBL3578274)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1/C26H19F4N3O3/c1-15(17-7-10-19(27)11-8-17)33-23(34)25(36-24(33)35,14-16-5-3-2-4-6-16)22-31-20-12-9-18(26(28,29)30)13-21(20)32-22/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/s2
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor expressed in CHOK1 cells assessed as inhibition of dexamethasone-induced protein interaction wit...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50089603
PNG
(CHEMBL3578286)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1/C30H23FN4O3/c1-19(21-9-12-24(31)13-10-21)35-28(36)30(38-29(35)37,17-20-6-3-2-4-7-20)27-33-25-14-11-22(16-26(25)34-27)23-8-5-15-32-18-23/h2-16,18-19H,17H2,1H3,(H,33,34)/t19-,30-/s2
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CHOK1 cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with st...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50089636
PNG
(CHEMBL3578271)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C25H19ClFN3O3/c1-15(17-7-10-19(27)11-8-17)30-23(31)25(33-24(30)32,14-16-5-3-2-4-6-16)22-28-20-12-9-18(26)13-21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/s2
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor expressed in CHOK1 cells assessed as inhibition of dexamethasone-induced protein interaction wit...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50089631
PNG
(CHEMBL3578276)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-8-10-19(27)11-9-18)31-24(32)26(36-25(31)33,15-17-6-4-3-5-7-17)23-28-21-13-12-20(14-22(21)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor beta expressed in human U2OS cells assessed as inhibition of D(-)-norgestrel-induced protein inter...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50089605
PNG
(CHEMBL3578284)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1conc1C)c1ccc(F)cc1
Show InChI InChI=1/C29H23FN4O4/c1-17-23(16-37-33-17)21-10-13-24-25(14-21)32-26(31-24)29(15-19-6-4-3-5-7-19)27(35)34(28(36)38-29)18(2)20-8-11-22(30)12-9-20/h3-14,16,18H,15H2,1-2H3,(H,31,32)/t18-,29-/s2
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n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50089604
PNG
(CHEMBL3578285)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)N1CCOCC1)c1ccc(F)cc1
Show InChI InChI=1/C29H27FN4O4/c1-19(21-7-9-22(30)10-8-21)34-27(35)29(38-28(34)36,18-20-5-3-2-4-6-20)26-31-24-12-11-23(17-25(24)32-26)33-13-15-37-16-14-33/h2-12,17,19H,13-16,18H2,1H3,(H,31,32)/t19-,29-/s2
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n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor expressed in CHOK1 cells assessed as inhibition of dexamethasone-induced protein interaction wit...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50089604
PNG
(CHEMBL3578285)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)N1CCOCC1)c1ccc(F)cc1
Show InChI InChI=1/C29H27FN4O4/c1-19(21-7-9-22(30)10-8-21)34-27(35)29(38-28(34)36,18-20-5-3-2-4-6-20)26-31-24-12-11-23(17-25(24)32-26)33-13-15-37-16-14-33/h2-12,17,19H,13-16,18H2,1H3,(H,31,32)/t19-,29-/s2
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n/an/a 5.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor beta assessed as inhibition of agonist-induced protein interaction with steroid receptor co-activator ...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50089604
PNG
(CHEMBL3578285)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)N1CCOCC1)c1ccc(F)cc1
Show InChI InChI=1/C29H27FN4O4/c1-19(21-7-9-22(30)10-8-21)34-27(35)29(38-28(34)36,18-20-5-3-2-4-6-20)26-31-24-12-11-23(17-25(24)32-26)33-13-15-37-16-14-33/h2-12,17,19H,13-16,18H2,1H3,(H,31,32)/t19-,29-/s2
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n/an/a 6.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50089607
PNG
(CHEMBL3576885)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1
Show InChI InChI=1/C28H22FN5O3/c1-17(19-7-10-21(29)11-8-19)34-26(35)28(37-27(34)36,16-18-5-3-2-4-6-18)25-31-23-12-9-20(15-24(23)32-25)22-13-14-30-33-22/h2-15,17H,16H2,1H3,(H,30,33)(H,31,32)/t17-,28-/s2
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n/an/a 6.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50089593
PNG
(CHEMBL3578295)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NS(C)(=O)=O)cccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-11-13-19(27)14-12-18)31-24(32)26(36-25(31)33,15-17-7-4-3-5-8-17)23-28-20-9-6-10-21(22(20)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 7.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor beta assessed as inhibition of agonist-induced protein interaction with steroid receptor co-activator ...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50089604
PNG
(CHEMBL3578285)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)N1CCOCC1)c1ccc(F)cc1
Show InChI InChI=1/C29H27FN4O4/c1-19(21-7-9-22(30)10-8-21)34-27(35)29(38-28(34)36,18-20-5-3-2-4-6-20)26-31-24-12-11-23(17-25(24)32-26)33-13-15-37-16-14-33/h2-12,17,19H,13-16,18H2,1H3,(H,31,32)/t19-,29-/s2
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n/an/a 7.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CHOK1 cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with st...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50089603
PNG
(CHEMBL3578286)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1/C30H23FN4O3/c1-19(21-9-12-24(31)13-10-21)35-28(36)30(38-29(35)37,17-20-6-3-2-4-7-20)27-33-25-14-11-22(16-26(25)34-27)23-8-5-15-32-18-23/h2-16,18-19H,17H2,1H3,(H,33,34)/t19-,30-/s2
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n/an/a 7.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50089593
PNG
(CHEMBL3578295)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NS(C)(=O)=O)cccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-11-13-19(27)14-12-18)31-24(32)26(36-25(31)33,15-17-7-4-3-5-8-17)23-28-20-9-6-10-21(22(20)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 8.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor beta expressed in human U2OS cells assessed as inhibition of D(-)-norgestrel-induced protein inter...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50089593
PNG
(CHEMBL3578295)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NS(C)(=O)=O)cccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-11-13-19(27)14-12-18)31-24(32)26(36-25(31)33,15-17-7-4-3-5-8-17)23-28-20-9-6-10-21(22(20)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CHOK1 cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with st...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50089631
PNG
(CHEMBL3578276)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-8-10-19(27)11-9-18)31-24(32)26(36-25(31)33,15-17-6-4-3-5-7-17)23-28-21-13-12-20(14-22(21)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor beta assessed as inhibition of agonist-induced protein interaction with steroid receptor co-activator ...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50089631
PNG
(CHEMBL3578276)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-8-10-19(27)11-9-18)31-24(32)26(36-25(31)33,15-17-6-4-3-5-7-17)23-28-21-13-12-20(14-22(21)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in CHOK1 cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with st...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50089631
PNG
(CHEMBL3578276)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-8-10-19(27)11-9-18)31-24(32)26(36-25(31)33,15-17-6-4-3-5-7-17)23-28-21-13-12-20(14-22(21)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 1.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50089593
PNG
(CHEMBL3578295)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NS(C)(=O)=O)cccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-11-13-19(27)14-12-18)31-24(32)26(36-25(31)33,15-17-7-4-3-5-8-17)23-28-20-9-6-10-21(22(20)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a 1.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor expressed in CHOK1 cells assessed as inhibition of dexamethasone-induced protein interaction wit...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50089631
PNG
(CHEMBL3578276)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-8-10-19(27)11-9-18)31-24(32)26(36-25(31)33,15-17-6-4-3-5-7-17)23-28-21-13-12-20(14-22(21)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human glucocorticoid receptor expressed in CHOK1 cells assessed as inhibition of dexamethasone-induced protein interaction wit...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50089593
PNG
(CHEMBL3578295)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NS(C)(=O)=O)cccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C26H23FN4O5S/c1-16(18-11-13-19(27)14-12-18)31-24(32)26(36-25(31)33,15-17-7-4-3-5-8-17)23-28-20-9-6-10-21(22(20)29-23)30-37(2,34)35/h3-14,16,30H,15H2,1-2H3,(H,28,29)/t16-,26-/s2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction wi...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50228080
PNG
(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
Show InChI InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/s2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human estrogen receptor beta assessed as inhibition of agonist-induced protein interaction with steroid receptor co-activator ...


ACS Med Chem Lett 6: 461-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%