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Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'lundeen' and Initial = 'sg'   
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
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 0.0540n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50222089
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-5-et...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(cc2)C(C)=O)C(=C)O1
Show InChI InChI=1S/C31H35NO3/c1-5-28-32-31(19(3)35-28)15-14-27-25-12-10-22-16-23(34)11-13-24(22)29(25)26(17-30(27,31)4)21-8-6-20(7-9-21)18(2)33/h6-9,16,25-27H,3,5,10-15,17H2,1-2,4H3/t25-,26+,27-,30-,31+/m0/s1
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RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50222091
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-5,15...)
Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C30H33NO3/c1-17(32)20-5-7-21(8-6-20)26-16-29(4)27(13-14-30(29)18(2)34-19(3)31-30)25-11-9-22-15-23(33)10-12-24(22)28(25)26/h5-8,15,25-27H,2,9-14,16H2,1,3-4H3/t25-,26+,27-,29-,30+/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50222086
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C30H36N2O2/c1-18-30(31-19(2)34-18)15-14-27-25-12-8-21-16-23(33)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)32(4)5/h6-7,9-10,16,25-27H,1,8,11-15,17H2,2-5H3/t25-,26+,27-,29-,30+/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50222092
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(cc2)N(C)C)C(=C)O1
Show InChI InChI=1S/C31H38N2O2/c1-6-28-32-31(19(2)35-28)16-15-27-25-13-9-21-17-23(34)12-14-24(21)29(25)26(18-30(27,31)3)20-7-10-22(11-8-20)33(4)5/h7-8,10-11,17,25-27H,2,6,9,12-16,18H2,1,3-5H3/t25-,26+,27-,30-,31+/m0/s1
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n/an/a 0.980n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50222088
PNG
((3S,10'S,11'S,15'S,17'R)-5-ethyl-17'-(3-fluoro-4-m...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(OC)c(F)c2)C(=C)O1
Show InChI InChI=1S/C30H34FNO3/c1-5-27-32-30(17(2)35-27)13-12-24-22-9-6-18-14-20(33)8-10-21(18)28(22)23(16-29(24,30)3)19-7-11-26(34-4)25(31)15-19/h7,11,14-15,22-24H,2,5-6,8-10,12-13,16H2,1,3-4H3/t22-,23+,24-,29-,30+/m0/s1
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RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50201772
PNG
(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-1,1,1-tr...)
Show SMILES CC(C)C(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C12H11Cl2F3N2O/c1-5(2)11(20,12(15,16)17)10-18-8-3-6(13)7(14)4-9(8)19-10/h3-5,20H,1-2H3,(H,18,19)
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at androgen receptor expressed in COS cells by whole cell binding assay


Bioorg Med Chem Lett 17: 1784-7 (2007)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50222087
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(3-fluoro-4-methoxyph...)
Show SMILES COc1ccc(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H32FNO3/c1-16-29(31-17(2)34-16)12-11-24-22-8-5-18-13-20(32)7-9-21(18)27(22)23(15-28(24,29)3)19-6-10-26(33-4)25(30)14-19/h6,10,13-14,22-24H,1,5,7-9,11-12,15H2,2-4H3/t22-,23+,24-,28-,29+/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50201773
PNG
(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-1,1,1-tr...)
Show SMILES OC(C=C)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C11H7Cl2F3N2O/c1-2-10(19,11(14,15)16)9-17-7-3-5(12)6(13)4-8(7)18-9/h2-4,19H,1H2,(H,17,18)
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at androgen receptor expressed in COS cells by whole cell binding assay


Bioorg Med Chem Lett 17: 1784-7 (2007)

More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50201771
PNG
(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-3-(ethyl...)
Show SMILES CCSCC(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C12H11Cl2F3N2OS/c1-2-21-5-11(20,12(15,16)17)10-18-8-3-6(13)7(14)4-9(8)19-10/h3-4,20H,2,5H2,1H3,(H,18,19)
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n/an/a 17n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at androgen receptor expressed in COS cells by whole cell binding assay


Bioorg Med Chem Lett 17: 1784-7 (2007)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50222085
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=COC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H34N2O2/c1-18-29(30-17-33-18)14-13-26-24-11-7-20-15-22(32)10-12-23(20)27(24)25(16-28(26,29)2)19-5-8-21(9-6-19)31(3)4/h5-6,8-9,15,17,24-26H,1,7,10-14,16H2,2-4H3/t24-,25+,26-,28-,29+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50222092
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(cc2)N(C)C)C(=C)O1
Show InChI InChI=1S/C31H38N2O2/c1-6-28-32-31(19(2)35-28)16-15-27-25-13-9-21-17-23(34)12-14-24(21)29(25)26(18-30(27,31)3)20-7-10-22(11-8-20)33(4)5/h7-8,10-11,17,25-27H,2,6,9,12-16,18H2,1,3-5H3/t25-,26+,27-,30-,31+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185197
PNG
(11-methyl-6,11-dihydro-5H-pyrido[3,2-a]carbazol-8-...)
Show SMILES Cn1c-2c(CCc3ncccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C16H14N2O/c1-18-15-7-4-10(19)9-13(15)11-5-6-14-12(16(11)18)3-2-8-17-14/h2-4,7-9,19H,5-6H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185206
PNG
(11-methyl-6,11-dihydro-5H-benzo[a]carbazol-9-ol | ...)
Show SMILES Cn1c-2c(CCc3ccccc-23)c2ccc(O)cc12
Show InChI InChI=1S/C17H15NO/c1-18-16-10-12(19)7-9-14(16)15-8-6-11-4-2-3-5-13(11)17(15)18/h2-5,7,9-10,19H,6,8H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185194
PNG
(11-methyl-6,11-dihydro-5-thia-4,11-diaza-benzo[a]f...)
Show SMILES Cn1c-2c(CSc3ncccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C15H12N2OS/c1-17-13-5-4-9(18)7-11(13)12-8-19-15-10(14(12)17)3-2-6-16-15/h2-7,18H,8H2,1H3
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n/an/a 52n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50222090
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-15'-...)
Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=COC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H31NO3/c1-17(31)19-4-6-20(7-5-19)25-15-28(3)26(12-13-29(28)18(2)33-16-30-29)24-10-8-21-14-22(32)9-11-23(21)27(24)25/h4-7,14,16,24-26H,2,8-13,15H2,1,3H3/t24-,25+,26-,28-,29+/m0/s1
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n/an/a 82n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activi...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50222086
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C30H36N2O2/c1-18-30(31-19(2)34-18)15-14-27-25-12-8-21-16-23(33)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)32(4)5/h6-7,9-10,16,25-27H,1,8,11-15,17H2,2-5H3/t25-,26+,27-,29-,30+/m0/s1
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n/an/a 82n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185207
PNG
(2-fluoro-11-methyl-6,11-dihydrothiochromeno[4,3-b]...)
Show SMILES Cn1c-2c(CSc3ccc(F)cc-23)c2cc(O)ccc12
Show InChI InChI=1S/C16H12FNOS/c1-18-14-4-3-10(19)7-11(14)13-8-20-15-5-2-9(17)6-12(15)16(13)18/h2-7,19H,8H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185210
PNG
(11-methyl-6,11-dihydrothiochromeno[4,3-b]indol-8-o...)
Show SMILES Cn1c-2c(CSc3ccccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C16H13NOS/c1-17-14-7-6-10(18)8-12(14)13-9-19-15-5-3-2-4-11(15)16(13)17/h2-8,18H,9H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185191
PNG
(11-methyl-6,11-dihydrothiochromeno[4,3-b]indol-9-o...)
Show SMILES Cn1c-2c(CSc3ccccc-23)c2ccc(O)cc12
Show InChI InChI=1S/C16H13NOS/c1-17-14-8-10(18)6-7-11(14)13-9-19-15-5-3-2-4-12(15)16(13)17/h2-8,18H,9H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50222089
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-5-et...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(cc2)C(C)=O)C(=C)O1
Show InChI InChI=1S/C31H35NO3/c1-5-28-32-31(19(3)35-28)15-14-27-25-12-10-22-16-23(34)11-13-24(22)29(25)26(17-30(27,31)4)21-8-6-20(7-9-21)18(2)33/h6-9,16,25-27H,3,5,10-15,17H2,1-2,4H3/t25-,26+,27-,30-,31+/m0/s1
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n/an/a 210n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185202
PNG
(3,10-dimethyl-3,4,5,10-tetrahydropyrrolo[3,2-a]car...)
Show SMILES Cn1ccc-2c1CCc1c-2n(C)c2ccc(O)cc12
Show InChI InChI=1S/C16H16N2O/c1-17-8-7-12-14(17)6-4-11-13-9-10(19)3-5-15(13)18(2)16(11)12/h3,5,7-9,19H,4,6H2,1-2H3
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n/an/a 370n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50222091
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-5,15...)
Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C30H33NO3/c1-17(32)20-5-7-21(8-6-20)26-16-29(4)27(13-14-30(29)18(2)34-19(3)31-30)25-11-9-22-15-23(33)10-12-24(22)28(25)26/h5-8,15,25-27H,2,9-14,16H2,1,3-4H3/t25-,26+,27-,29-,30+/m0/s1
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n/an/a 460n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50222085
PNG
((3S,10'S,11'S,15'S,17'R)-17'-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=COC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H34N2O2/c1-18-29(30-17-33-18)14-13-26-24-11-7-20-15-22(32)10-12-23(20)27(24)25(16-28(26,29)2)19-5-8-21(9-6-19)31(3)4/h5-6,8-9,15,17,24-26H,1,7,10-14,16H2,2-4H3/t24-,25+,26-,28-,29+/m0/s1
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n/an/a 540n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185190
PNG
(10-methyl-5,10-dihydro-4H-thieno[3,2-a]carbazol-7-...)
Show SMILES Cn1c2-c3ccsc3CCc2c2cc(O)ccc12
Show InChI InChI=1S/C15H13NOS/c1-16-13-4-2-9(17)8-12(13)10-3-5-14-11(15(10)16)6-7-18-14/h2,4,6-8,17H,3,5H2,1H3
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n/an/a 580n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185209
PNG
(3-fluoro-11-methyl-6,11-dihydrothiochromeno[4,3-b]...)
Show SMILES Cn1c-2c(CSc3cc(F)ccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C16H12FNOS/c1-18-14-5-3-10(19)7-12(14)13-8-20-15-6-9(17)2-4-11(15)16(13)18/h2-7,19H,8H2,1H3
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n/an/a 630n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50222087
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(3-fluoro-4-methoxyph...)
Show SMILES COc1ccc(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H32FNO3/c1-16-29(31-17(2)34-16)12-11-24-22-8-5-18-13-20(32)7-9-21(18)27(22)23(15-28(24,29)3)19-6-10-26(33-4)25(30)14-19/h6,10,13-14,22-24H,1,5,7-9,11-12,15H2,2-4H3/t22-,23+,24-,28-,29+/m0/s1
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n/an/a 660n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
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n/an/a 850n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185201
PNG
(11-methyl-6,11-dihydrothiochromeno[4,3-b]indol-8-y...)
Show SMILES CC(=O)Oc1ccc2n(C)c-3c(CSc4ccccc-34)c2c1
Show InChI InChI=1S/C18H15NO2S/c1-11(20)21-12-7-8-16-14(9-12)15-10-22-17-6-4-3-5-13(17)18(15)19(16)2/h3-9H,10H2,1-2H3
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n/an/a 880n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185213
PNG
(12-methyl-5,6,7,12-tetrahydro-benzo[6,7]cyclohepta...)
Show SMILES Cn1c-2c(CCCc3ccccc-23)c2ccc(O)cc12
Show InChI InChI=1S/C18H17NO/c1-19-17-11-13(20)9-10-15(17)16-8-4-6-12-5-2-3-7-14(12)18(16)19/h2-3,5,7,9-11,20H,4,6,8H2,1H3
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n/an/a 920n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185199
PNG
(11-methyl-6,11-dihydro-5H-pyrido[4,3-a]carbazol-8-...)
Show SMILES Cn1c-2c(CCc3cnccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C16H14N2O/c1-18-15-5-3-11(19)8-14(15)13-4-2-10-9-17-7-6-12(10)16(13)18/h3,5-9,19H,2,4H2,1H3
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n/an/a 930n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185212
PNG
(1-(8-hydroxythiochromeno[4,3-b]indol-11(6H)-yl)eth...)
Show SMILES CC(=O)n1c-2c(CSc3ccccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C17H13NO2S/c1-10(19)18-15-7-6-11(20)8-13(15)14-9-21-16-5-3-2-4-12(16)17(14)18/h2-8,20H,9H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185193
PNG
(8-chloro-11-methyl-6,11-dihydrothiochromeno[4,3-b]...)
Show SMILES Cn1c-2c(CSc3ccccc-23)c2cc(Cl)ccc12
Show InChI InChI=1S/C16H12ClNS/c1-18-14-7-6-10(17)8-12(14)13-9-19-15-5-3-2-4-11(15)16(13)18/h2-8H,9H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185211
PNG
(11-methyl-6,11-dihydrothiochromeno[4,3-b]indole-3,...)
Show SMILES Cn1c-2c(CSc3cc(O)ccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C16H13NO2S/c1-17-14-5-3-9(18)6-12(14)13-8-20-15-7-10(19)2-4-11(15)16(13)17/h2-7,18-19H,8H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185192
PNG
(11-ethyl-6,11-dihydrothiochromeno[4,3-b]indol-8-ol...)
Show SMILES CCn1c-2c(CSc3ccccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C17H15NOS/c1-2-18-15-8-7-11(19)9-13(15)14-10-20-16-6-4-3-5-12(16)17(14)18/h3-9,19H,2,10H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185208
PNG
(3-bromo-11-methyl-6,11-dihydrothiochromeno[4,3-b]i...)
Show SMILES Cn1c-2c(CSc3cc(Br)ccc-23)c2cc(O)ccc12
Show InChI InChI=1S/C16H12BrNOS/c1-18-14-5-3-10(19)7-12(14)13-8-20-15-6-9(17)2-4-11(15)16(13)18/h2-7,19H,8H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185204
PNG
(8-fluoro-11-methyl-3-(trifluoromethyl)-6,11-dihydr...)
Show SMILES Cn1c-2c(CSc3cc(ccc-23)C(F)(F)F)c2cc(F)ccc12
Show InChI InChI=1S/C17H11F4NS/c1-22-14-5-3-10(18)7-12(14)13-8-23-15-6-9(17(19,20)21)2-4-11(15)16(13)22/h2-7H,8H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185195
PNG
(3-methoxy-11-methyl-6,11-dihydrothiochromeno[4,3-b...)
Show SMILES COc1ccc2-c3c(CSc2c1)c1cc(O)ccc1n3C
Show InChI InChI=1S/C17H15NO2S/c1-18-15-6-3-10(19)7-13(15)14-9-21-16-8-11(20-2)4-5-12(16)17(14)18/h3-8,19H,9H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185198
PNG
(6,6,11-trimethyl-6,11-dihydrothiochromeno[4,3-b]in...)
Show SMILES Cn1c-2c(c3ccc(O)cc13)C(C)(C)Sc1cc(O)ccc-21
Show InChI InChI=1S/C18H17NO2S/c1-18(2)16-12-6-4-10(20)8-14(12)19(3)17(16)13-7-5-11(21)9-15(13)22-18/h4-9,20-21H,1-3H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185205
PNG
(8-fluoro-11-methyl-6,11-dihydrothiochromeno[4,3-b]...)
Show SMILES Cn1c-2c(CSc3ccccc-23)c2cc(F)ccc12
Show InChI InChI=1S/C16H12FNS/c1-18-14-7-6-10(17)8-12(14)13-9-19-15-5-3-2-4-11(15)16(13)18/h2-8H,9H2,1H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185200
PNG
(3-fluoro-11-methyl-6,11-dihydrothiochromeno[4,3-b]...)
Show SMILES Cn1c-2c(CSc3cc(F)ccc-23)c2cccc(O)c12
Show InChI InChI=1S/C16H12FNOS/c1-18-15-11-6-5-9(17)7-14(11)20-8-12(15)10-3-2-4-13(19)16(10)18/h2-7,19H,8H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185203
PNG
(6,11-dihydrothiochromeno[4,3-b]indol-8-ol | CHEMBL...)
Show SMILES Oc1ccc2[nH]c-3c(CSc4ccccc-34)c2c1
Show InChI InChI=1S/C15H11NOS/c17-9-5-6-13-11(7-9)12-8-18-14-4-2-1-3-10(14)15(12)16-13/h1-7,16-17H,8H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50185189
PNG
(12-methyl-6,7-dihydro-12H-5-thia-12-aza-dibenzo[a,...)
Show SMILES Cn1c-2c(CCSc3ccccc-23)c2ccc(O)cc12
Show InChI InChI=1S/C17H15NOS/c1-18-15-10-11(19)6-7-12(15)13-8-9-20-16-5-3-2-4-14(16)17(13)18/h2-7,10,19H,8-9H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat AR-mediated reporter gene expression in COS7 cells


Bioorg Med Chem Lett 16: 3233-7 (2006)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50222088
PNG
((3S,10'S,11'S,15'S,17'R)-5-ethyl-17'-(3-fluoro-4-m...)
Show SMILES CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(OC)c(F)c2)C(=C)O1
Show InChI InChI=1S/C30H34FNO3/c1-5-27-32-30(17(2)35-27)13-12-24-22-9-6-18-14-20(33)8-10-21(18)28(22)23(16-29(24,30)3)19-7-11-26(34-4)25(31)15-19/h7,11,14-15,22-24H,2,5-6,8-10,12-13,16H2,1,3-4H3/t22-,23+,24-,29-,30+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50222090
PNG
((3S,10'S,11'S,15'S,17'R)-17'-(4-acetylphenyl)-15'-...)
Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=COC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H31NO3/c1-17(31)19-4-6-20(7-5-19)25-15-28(3)26(12-13-29(28)18(2)33-16-30-29)24-10-8-21-14-22(32)9-11-23(21)27(24)25/h4-7,14,16,24-26H,2,8-13,15H2,1,3H3/t24-,25+,26-,28-,29+/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase r...


Bioorg Med Chem Lett 17: 5754-7 (2007)

More data for this
Ligand-Target Pair
Sulfonylurea receptor 2, Kir6.2


(Homo sapiens)
BDBM50010132
PNG
((3S,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin...)
Show SMILES CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N1CCCC1=O)C#N
Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m1/s1
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n/an/an/an/a 1.25E+3n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Channel opening activity at SUR2B/Kir6.2 potassium ATP channel in human TE671 cells assessed as isometric force by FLIPR


Bioorg Med Chem 17: 855-66 (2009)

More data for this
Ligand-Target Pair
Sulfonylurea receptor 2, Kir6.2


(Homo sapiens)
BDBM50240750
PNG
(()-N-Cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylprop...)
Show SMILES CC(NC(NC#N)=Nc1ccncc1)C(C)(C)C
Show InChI InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)
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n/an/an/an/a 3.54E+3n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Channel opening activity at SUR2B/Kir6.2 potassium ATP channel in human TE671 cells assessed as isometric force by FLIPR


Bioorg Med Chem 17: 855-66 (2009)

More data for this
Ligand-Target Pair
Sulfonylurea receptor 2, Kir6.2


(Homo sapiens)
BDBM50062397
PNG
(3N-cyanoimino(tert-pentylamino)methyl-3-pyridinami...)
Show SMILES CCC(C)(C)NC(NC#N)=Nc1cccnc1
Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)
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n/an/an/an/a 230n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Channel opening activity at SUR2B/Kir6.2 potassium ATP channel in human TE671 cells assessed as isometric force by FLIPR


Bioorg Med Chem 17: 855-66 (2009)

More data for this
Ligand-Target Pair
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