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Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50045981   
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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
Show InChI InChI=1S/C28H20FN5O3/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/t17-,28-/m1/s1
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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 |r|
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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 |r|
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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 |r|
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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))		BDBM50089602
PNG
(CHEMBL3578287)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1ccccn1)c1ccc(F)cc1 |r|
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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 |r|
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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 |r|
Show InChI InChI=1S/C28H20FN5O3/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/b22-20+/t17-,28-/m1/s1
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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))		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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r|
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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 |r,t:6|
Show InChI InChI=1S/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+/m0/s1
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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 |r|
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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 |r|
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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 |r|
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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 |r|
Show InChI InChI=1S/C28H20FN5O3/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/b22-21-/t17-,28-/m1/s1
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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 |r|
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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
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 |r|
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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
Estrogen receptor beta


(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 |r|
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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
Estrogen receptor beta


(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 |r|
Show InChI InChI=1S/C28H20FN5O3/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/b22-20+/t17-,28-/m1/s1
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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
Estrogen receptor beta


(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 |r|
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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
Estrogen receptor beta


(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 |r|
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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 |r|
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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 |r|
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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))		BDBM50089603
PNG
(CHEMBL3578286)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1)c1ccc(F)cc1 |r|
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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))		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 |r|
Show InChI InChI=1S/C28H20FN5O3/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/b22-20+/t17-,28-/m1/s1
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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 beta


(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 |r|
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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
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 |r|
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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 |r|
Show InChI InChI=1S/C28H20FN5O3/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/b22-20+/t17-,28-/m1/s1
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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
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 |r|
PDB
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UniChem

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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 |r|
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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 |r|
PDB
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KEGG

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UniChem

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Article
PubMed
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
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