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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'capolina' and Initial = 'a'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198964
PNG
((S)-N-(1-(1H-indol-3-yl)propan-2-yl)-2,4,6-trimeth...)
Show SMILES C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H24N2O2S/c1-13-9-14(2)20(15(3)10-13)25(23,24)22-16(4)11-17-12-21-19-8-6-5-7-18(17)19/h5-10,12,16,21-22H,11H2,1-4H3/t16-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198946
PNG
(CHEMBL232452 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C |w:1.0|
Show InChI InChI=1S/C20H24N2O2S/c1-13-9-14(2)20(15(3)10-13)25(23,24)22-16(4)11-17-12-21-19-8-6-5-7-18(17)19/h5-10,12,16,21-22H,11H2,1-4H3
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n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198950
PNG
(CHEMBL245191 | N-(1-(1H-indol-3-yl)butan-2-yl)-2,4...)
Show SMILES CCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl |w:2.14|
Show InChI InChI=1S/C18H17Cl3N2O2S/c1-2-13(7-11-10-22-17-6-4-3-5-14(11)17)23-26(24,25)18-15(20)8-12(19)9-16(18)21/h3-6,8-10,13,22-23H,2,7H2,1H3
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n/an/a 64n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198973
PNG
(CHEMBL396029 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C17H15Cl3N2O2S/c1-10(6-11-9-21-16-5-3-2-4-13(11)16)22-25(23,24)17-14(19)7-12(18)8-15(17)20/h2-5,7-10,21-22H,6H2,1H3
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n/an/a 64n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198991
PNG
(CHEMBL395341 | N-(1-(5-fluoro-1H-indol-3-yl)propan...)
Show SMILES CC(Cc1c[nH]c2ccc(F)cc12)NS(=O)(=O)c1c(C)cc(C)cc1C |w:1.0|
Show InChI InChI=1S/C20H23FN2O2S/c1-12-7-13(2)20(14(3)8-12)26(24,25)23-15(4)9-16-11-22-19-6-5-17(21)10-18(16)19/h5-8,10-11,15,22-23H,9H2,1-4H3
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n/an/a 65n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198956
PNG
(CHEMBL242812 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |w:1.0|
Show InChI InChI=1S/C26H36N2O2S/c1-16(2)20-13-23(17(3)4)26(24(14-20)18(5)6)31(29,30)28-19(7)12-21-15-27-25-11-9-8-10-22(21)25/h8-11,13-19,27-28H,12H2,1-7H3
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n/an/a 67n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198961
PNG
(CHEMBL388432 | N-(1-(6-fluoro-1H-indol-3-yl)propan...)
Show SMILES CC(Cc1c[nH]c2cc(F)ccc12)NS(=O)(=O)c1c(C)cc(C)cc1C |w:1.0|
Show InChI InChI=1S/C20H23FN2O2S/c1-12-7-13(2)20(14(3)8-12)26(24,25)23-15(4)9-16-11-22-19-10-17(21)5-6-18(16)19/h5-8,10-11,15,22-23H,9H2,1-4H3
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n/an/a 79n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198974
PNG
(2,4,6-trimethyl-N-(1-(7-methyl-1H-indol-3-yl)propa...)
Show SMILES CC(Cc1c[nH]c2c(C)cccc12)NS(=O)(=O)c1c(C)cc(C)cc1C |w:1.0|
Show InChI InChI=1S/C21H26N2O2S/c1-13-9-15(3)21(16(4)10-13)26(24,25)23-17(5)11-18-12-22-20-14(2)7-6-8-19(18)20/h6-10,12,17,22-23H,11H2,1-5H3
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n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50198973
PNG
(CHEMBL396029 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C17H15Cl3N2O2S/c1-10(6-11-9-21-16-5-3-2-4-13(11)16)22-25(23,24)17-14(19)7-12(18)8-15(17)20/h2-5,7-10,21-22H,6H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198945
PNG
(CHEMBL233660 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl |w:1.0|
Show InChI InChI=1S/C17H16Cl2N2O2S/c1-11(9-12-10-20-16-8-3-2-5-13(12)16)21-24(22,23)17-14(18)6-4-7-15(17)19/h2-8,10-11,20-21H,9H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human PR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198945
PNG
(CHEMBL233660 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl |w:1.0|
Show InChI InChI=1S/C17H16Cl2N2O2S/c1-11(9-12-10-20-16-8-3-2-5-13(12)16)21-24(22,23)17-14(18)6-4-7-15(17)19/h2-8,10-11,20-21H,9H2,1H3
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n/an/a 240n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198943
PNG
(CHEMBL390434 | N-(1-(1H-indol-3-yl)propan-2-yl)-2-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cccc1Cl |w:1.0|
Show InChI InChI=1S/C18H19ClN2O2S/c1-12-6-5-8-16(19)18(12)24(22,23)21-13(2)10-14-11-20-17-9-4-3-7-15(14)17/h3-9,11,13,20-21H,10H2,1-2H3
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n/an/a 280n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50198946
PNG
(CHEMBL232452 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C |w:1.0|
Show InChI InChI=1S/C20H24N2O2S/c1-13-9-14(2)20(15(3)10-13)25(23,24)22-16(4)11-17-12-21-19-8-6-5-7-18(17)19/h5-10,12,16,21-22H,11H2,1-4H3
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n/an/a 290n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198959
PNG
(CHEMBL232250 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C17H15Cl3N2O2S/c1-10(6-11-9-21-16-5-3-2-4-12(11)16)22-25(23,24)17-8-14(19)13(18)7-15(17)20/h2-5,7-10,21-22H,6H2,1H3
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n/an/a 440n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human PR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198953
PNG
(CHEMBL233659 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C17H16Cl2N2O2S/c1-11(8-12-10-20-16-5-3-2-4-14(12)16)21-24(22,23)17-7-6-13(18)9-15(17)19/h2-7,9-11,20-21H,8H2,1H3
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n/an/a 480n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198971
PNG
(2,4,6-trimethyl-N-(1-(6-methyl-1H-indol-3-yl)propa...)
Show SMILES CC(Cc1c[nH]c2cc(C)ccc12)NS(=O)(=O)c1c(C)cc(C)cc1C |w:1.0|
Show InChI InChI=1S/C21H26N2O2S/c1-13-6-7-19-18(12-22-20(19)10-13)11-17(5)23-26(24,25)21-15(3)8-14(2)9-16(21)4/h6-10,12,17,22-23H,11H2,1-5H3
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n/an/a 490n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50198978
PNG
((R)-N-(1-(1H-indol-3-yl)propan-2-yl)-2,4,6-trimeth...)
Show SMILES C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H24N2O2S/c1-13-9-14(2)20(15(3)10-13)25(23,24)22-16(4)11-17-12-21-19-8-6-5-7-18(17)19/h5-10,12,16,21-22H,11H2,1-4H3/t16-/m1/s1
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n/an/a 520n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198965
PNG
(2,4,6-trichloro-N-(1-(2-methyl-1H-indol-3-yl)propa...)
Show SMILES CC(Cc1c(C)[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C18H17Cl3N2O2S/c1-10(7-14-11(2)22-17-6-4-3-5-13(14)17)23-26(24,25)18-15(20)8-12(19)9-16(18)21/h3-6,8-10,22-23H,7H2,1-2H3
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n/an/a 570n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198973
PNG
(CHEMBL396029 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C17H15Cl3N2O2S/c1-10(6-11-9-21-16-5-3-2-4-13(11)16)22-25(23,24)17-14(19)7-12(18)8-15(17)20/h2-5,7-10,21-22H,6H2,1H3
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n/an/a 570n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human PR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198947
PNG
(CHEMBL233038 | N-(1-(1H-indol-3-yl)propan-2-yl)-4-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)C(C)(C)C |w:1.0|
Show InChI InChI=1S/C21H26N2O2S/c1-15(13-16-14-22-20-8-6-5-7-19(16)20)23-26(24,25)18-11-9-17(10-12-18)21(2,3)4/h5-12,14-15,22-23H,13H2,1-4H3
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n/an/a 735n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198968
PNG
(CHEMBL231803 | N-(1-(1H-indol-3-yl)propan-2-yl)-4-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)C(C)C |w:1.0|
Show InChI InChI=1S/C20H24N2O2S/c1-14(2)16-8-10-18(11-9-16)25(23,24)22-15(3)12-17-13-21-20-7-5-4-6-19(17)20/h4-11,13-15,21-22H,12H2,1-3H3
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n/an/a 750n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198989
PNG
(CHEMBL389794 | N-(1-(1H-indol-3-yl)propan-2-yl)-3-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1C |w:1.0|
Show InChI InChI=1S/C18H19ClN2O2S/c1-12(10-14-11-20-17-8-4-3-6-15(14)17)21-24(22,23)18-9-5-7-16(19)13(18)2/h3-9,11-12,20-21H,10H2,1-2H3
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n/an/a 820n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50198953
PNG
(CHEMBL233659 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C17H16Cl2N2O2S/c1-11(8-12-10-20-16-5-3-2-4-14(12)16)21-24(22,23)17-7-6-13(18)9-15(17)19/h2-7,9-11,20-21H,8H2,1H3
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n/an/a 850n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198959
PNG
(CHEMBL232250 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C17H15Cl3N2O2S/c1-10(6-11-9-21-16-5-3-2-4-12(11)16)22-25(23,24)17-8-14(19)13(18)7-15(17)20/h2-5,7-10,21-22H,6H2,1H3
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n/an/a 990n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50198964
PNG
((S)-N-(1-(1H-indol-3-yl)propan-2-yl)-2,4,6-trimeth...)
Show SMILES C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H24N2O2S/c1-13-9-14(2)20(15(3)10-13)25(23,24)22-16(4)11-17-12-21-19-8-6-5-7-18(17)19/h5-10,12,16,21-22H,11H2,1-4H3/t16-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50198959
PNG
(CHEMBL232250 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C17H15Cl3N2O2S/c1-10(6-11-9-21-16-5-3-2-4-12(11)16)22-25(23,24)17-8-14(19)13(18)7-15(17)20/h2-5,7-10,21-22H,6H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198968
PNG
(CHEMBL231803 | N-(1-(1H-indol-3-yl)propan-2-yl)-4-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)C(C)C |w:1.0|
Show InChI InChI=1S/C20H24N2O2S/c1-14(2)16-8-10-18(11-9-16)25(23,24)22-15(3)12-17-13-21-20-7-5-4-6-19(17)20/h4-11,13-15,21-22H,12H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human PR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50198947
PNG
(CHEMBL233038 | N-(1-(1H-indol-3-yl)propan-2-yl)-4-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)C(C)(C)C |w:1.0|
Show InChI InChI=1S/C21H26N2O2S/c1-15(13-16-14-22-20-8-6-5-7-19(16)20)23-26(24,25)18-11-9-17(10-12-18)21(2,3)4/h5-12,14-15,22-23H,13H2,1-4H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198966
PNG
(CHEMBL233243 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl |w:1.0|
Show InChI InChI=1S/C17H16Cl2N2O2S/c1-11(9-12-10-20-15-7-3-2-5-13(12)15)21-24(22,23)16-8-4-6-14(18)17(16)19/h2-8,10-11,20-21H,9H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198964
PNG
((S)-N-(1-(1H-indol-3-yl)propan-2-yl)-2,4,6-trimeth...)
Show SMILES C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C20H24N2O2S/c1-13-9-14(2)20(15(3)10-13)25(23,24)22-16(4)11-17-12-21-19-8-6-5-7-18(17)19/h5-10,12,16,21-22H,11H2,1-4H3/t16-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human PR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198987
PNG
(CHEMBL389152 | N-(1-(1H-indol-3-yl)propan-2-yl)-N,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)N(C)S(=O)(=O)c1c(C)cc(C)cc1C |w:1.0|
Show InChI InChI=1S/C21H26N2O2S/c1-14-10-15(2)21(16(3)11-14)26(24,25)23(5)17(4)12-18-13-22-20-9-7-6-8-19(18)20/h6-11,13,17,22H,12H2,1-5H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198949
PNG
(CHEMBL233241 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)ccc1Cl |w:1.0|
Show InChI InChI=1S/C17H16Cl2N2O2S/c1-11(8-12-10-20-16-5-3-2-4-14(12)16)21-24(22,23)17-9-13(18)6-7-15(17)19/h2-7,9-11,20-21H,8H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50198968
PNG
(CHEMBL231803 | N-(1-(1H-indol-3-yl)propan-2-yl)-4-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)C(C)C |w:1.0|
Show InChI InChI=1S/C20H24N2O2S/c1-14(2)16-8-10-18(11-9-16)25(23,24)22-15(3)12-17-13-21-20-7-5-4-6-19(17)20/h4-11,13-15,21-22H,12H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198946
PNG
(CHEMBL232452 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C |w:1.0|
Show InChI InChI=1S/C20H24N2O2S/c1-13-9-14(2)20(15(3)10-13)25(23,24)22-16(4)11-17-12-21-19-8-6-5-7-18(17)19/h5-10,12,16,21-22H,11H2,1-4H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human PR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50198945
PNG
(CHEMBL233660 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl |w:1.0|
Show InChI InChI=1S/C17H16Cl2N2O2S/c1-11(9-12-10-20-16-8-3-2-5-13(12)16)21-24(22,23)17-14(18)6-4-7-15(17)19/h2-8,10-11,20-21H,9H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198944
PNG
(CHEMBL231802 | N-(1-(1H-indol-3-yl)propan-2-yl)-4-...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12 |w:13.14|
Show InChI InChI=1S/C20H24N2O2S/c1-3-6-16-9-11-18(12-10-16)25(23,24)22-15(2)13-17-14-21-20-8-5-4-7-19(17)20/h4-5,7-12,14-15,21-22H,3,6,13H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198986
PNG
(CHEMBL390634 | N-(1-(1H-indol-3-yl)propan-2-yl)-4-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(C)c(Cl)cc1C |w:1.0|
Show InChI InChI=1S/C19H21ClN2O2S/c1-12-9-19(13(2)8-17(12)20)25(23,24)22-14(3)10-15-11-21-18-7-5-4-6-16(15)18/h4-9,11,14,21-22H,10H2,1-3H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198975
PNG
(CHEMBL232249 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl |w:1.0|
Show InChI InChI=1S/C17H15Cl3N2O2S/c1-10(8-11-9-21-14-5-3-2-4-12(11)14)22-25(23,24)15-7-6-13(18)16(19)17(15)20/h2-7,9-10,21-22H,8H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198977
PNG
(CHEMBL397005 | N-(2-(1H-indol-3-yl)ethyl)-2,4,6-tr...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H22N2O2S/c1-13-10-14(2)19(15(3)11-13)24(22,23)21-9-8-16-12-20-18-7-5-4-6-17(16)18/h4-7,10-12,20-21H,8-9H2,1-3H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198976
PNG
((R)-methyl 3-(1H-indol-3-yl)-2-(2,4,6-trimethylphe...)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H24N2O4S/c1-13-9-14(2)20(15(3)10-13)28(25,26)23-19(21(24)27-4)11-16-12-22-18-8-6-5-7-17(16)18/h5-10,12,19,22-23H,11H2,1-4H3/t19-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human PR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198969
PNG
(1-(1-(1H-indol-3-yl)propan-2-yl)-3-(2,4,6-trichlor...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NC(=O)Nc1c(Cl)cc(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C18H16Cl3N3O/c1-10(6-11-9-22-16-5-3-2-4-13(11)16)23-18(25)24-17-14(20)7-12(19)8-15(17)21/h2-5,7-10,22H,6H2,1H3,(H2,23,24,25)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50198956
PNG
(CHEMBL242812 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |w:1.0|
Show InChI InChI=1S/C26H36N2O2S/c1-16(2)20-13-23(17(3)4)26(24(14-20)18(5)6)31(29,30)28-19(7)12-21-15-27-25-11-9-8-10-22(21)25/h8-11,13-19,27-28H,12H2,1-7H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human MR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198953
PNG
(CHEMBL233659 | N-(1-(1H-indol-3-yl)propan-2-yl)-2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C17H16Cl2N2O2S/c1-11(8-12-10-20-16-5-3-2-4-14(12)16)21-24(22,23)17-7-6-13(18)9-15(17)19/h2-7,9-11,20-21H,8H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human PR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198962
PNG
((S)-methyl 3-(1H-indol-3-yl)-2-(2,4,6-trimethylphe...)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H24N2O4S/c1-13-9-14(2)20(15(3)10-13)28(25,26)23-19(21(24)27-4)11-16-12-22-18-8-6-5-7-17(16)18/h5-10,12,19,22-23H,11H2,1-4H3/t19-/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198954
PNG
(CHEMBL243691 | N-(1-hydroxy-3-(1H-indol-3-yl)propa...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(CO)Cc1c[nH]c2ccccc12 |w:13.13|
Show InChI InChI=1S/C20H24N2O3S/c1-13-8-14(2)20(15(3)9-13)26(24,25)22-17(12-23)10-16-11-21-19-7-5-4-6-18(16)19/h4-9,11,17,21-23H,10,12H2,1-3H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50198948
PNG
(2,4,6-trichloro-N-(1-(1-methyl-1H-indol-3-yl)propa...)
Show SMILES CC(Cc1cn(C)c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C18H17Cl3N2O2S/c1-11(7-12-10-23(2)17-6-4-3-5-14(12)17)22-26(24,25)18-15(20)8-13(19)9-16(18)21/h3-6,8-11,22H,7H2,1-2H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human GR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198947
PNG
(CHEMBL233038 | N-(1-(1H-indol-3-yl)propan-2-yl)-4-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)C(C)(C)C |w:1.0|
Show InChI InChI=1S/C21H26N2O2S/c1-15(13-16-14-22-20-8-6-5-7-19(16)20)23-26(24,25)18-11-9-17(10-12-18)21(2,3)4/h5-12,14-15,22-23H,13H2,1-4H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human PR


Bioorg Med Chem Lett 17: 315-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.058
BindingDB Entry DOI: 10.7270/Q2ST7QNW
More data for this
Ligand-Target Pair
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