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Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'hammach' 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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50126732
PNG
(2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-pro...)
Show SMILES CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
Show InChI InChI=1S/C25H27Cl2N5O/c1-5-32(6-2)14-8-11-19-15(3)16-12-13-20-23(21(16)24(33)28-19)31(4)25(29-20)30-22-17(26)9-7-10-18(22)27/h7-13H,5-6,14H2,1-4H3,(H,28,33)(H,29,30)
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Src protein tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50126732
PNG
(2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-pro...)
Show SMILES CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
Show InChI InChI=1S/C25H27Cl2N5O/c1-5-32(6-2)14-8-11-19-15(3)16-12-13-20-23(21(16)24(33)28-19)31(4)25(29-20)30-22-17(26)9-7-10-18(22)27/h7-13H,5-6,14H2,1-4H3,(H,28,33)(H,29,30)
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n/an/a 0.400n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Brutons tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126732
PNG
(2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-pro...)
Show SMILES CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
Show InChI InChI=1S/C25H27Cl2N5O/c1-5-32(6-2)14-8-11-19-15(3)16-12-13-20-23(21(16)24(33)28-19)31(4)25(29-20)30-22-17(26)9-7-10-18(22)27/h7-13H,5-6,14H2,1-4H3,(H,28,33)(H,29,30)
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n/an/a 0.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126732
PNG
(2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-pro...)
Show SMILES CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
Show InChI InChI=1S/C25H27Cl2N5O/c1-5-32(6-2)14-8-11-19-15(3)16-12-13-20-23(21(16)24(33)28-19)31(4)25(29-20)30-22-17(26)9-7-10-18(22)27/h7-13H,5-6,14H2,1-4H3,(H,28,33)(H,29,30)
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n/an/a 0.700n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126751
PNG
(2-(2,6-Dichloro-phenylamino)-7-(3-ethylamino-prope...)
Show SMILES CCNCC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:4.3|
Show InChI InChI=1S/C23H23Cl2N5O/c1-4-26-12-6-9-17-13(2)14-10-11-18-21(19(14)22(31)27-17)30(3)23(28-18)29-20-15(24)7-5-8-16(20)25/h5-11,26H,4,12H2,1-3H3,(H,27,31)(H,28,29)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126735
PNG
(7-(3-Amino-propenyl)-2-(2,6-dichloro-phenylamino)-...)
Show SMILES Cc1c(C=CCN)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12 |w:4.4|
Show InChI InChI=1S/C21H19Cl2N5O/c1-11-12-8-9-16-19(17(12)20(29)25-15(11)7-4-10-24)28(2)21(26-16)27-18-13(22)5-3-6-14(18)23/h3-9H,10,24H2,1-2H3,(H,25,29)(H,26,27)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126739
PNG
(2-(2,6-Dichloro-phenylamino)-1,6-dimethyl-7-(3-pyr...)
Show SMILES Cc1c(C=CCN2CCCC2)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12 |w:4.4|
Show InChI InChI=1S/C25H25Cl2N5O/c1-15-16-10-11-20-23(31(2)25(29-20)30-22-17(26)7-5-8-18(22)27)21(16)24(33)28-19(15)9-6-14-32-12-3-4-13-32/h5-11H,3-4,12-14H2,1-2H3,(H,28,33)(H,29,30)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50126732
PNG
(2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-pro...)
Show SMILES CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
Show InChI InChI=1S/C25H27Cl2N5O/c1-5-32(6-2)14-8-11-19-15(3)16-12-13-20-23(21(16)24(33)28-19)31(4)25(29-20)30-22-17(26)9-7-10-18(22)27/h7-13H,5-6,14H2,1-4H3,(H,28,33)(H,29,30)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Protein tyrosine kinase Lyn


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201099
PNG
(4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4CCOc34)C(F)(F)F)cc12
Show InChI InChI=1S/C24H23F3N2O5/c1-13-17-11-15(7-8-16(17)20(30)34-29-13)28-21(31)23(32,24(25,26)27)12-22(2,3)18-6-4-5-14-9-10-33-19(14)18/h4-8,11,32H,9-10,12H2,1-3H3,(H,28,31)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126746
PNG
(2-(2,6-Dichloro-phenylamino)-7-(3-dimethylamino-pr...)
Show SMILES CN(C)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:4.3|
Show InChI InChI=1S/C23H23Cl2N5O/c1-13-14-10-11-18-21(19(14)22(31)26-17(13)9-6-12-29(2)3)30(4)23(27-18)28-20-15(24)7-5-8-16(20)25/h5-11H,12H2,1-4H3,(H,26,31)(H,27,28)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
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 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201093
PNG
(1-[4-(4-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1ccc(F)cc1O
Show InChI InChI=1S/C22H21F4NO3/c1-20(2,16-8-7-14(23)11-19(16)29)12-21(30,22(24,25)26)13-27-10-9-18(28)15-5-3-4-6-17(15)27/h3-11,29-30H,12-13H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201081
PNG
(1-[4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-meth...)
Show SMILES CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1cccc2CCOc12
Show InChI InChI=1S/C24H24F3NO3/c1-22(2,18-8-5-6-16-11-13-31-21(16)18)14-23(30,24(25,26)27)15-28-12-10-20(29)17-7-3-4-9-19(17)28/h3-10,12,30H,11,13-15H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126749
PNG
(2-(2,6-Dichloro-phenylamino)-1,6-dimethyl-7-(3-mor...)
Show SMILES Cc1c(C=CCN2CCOCC2)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12 |w:4.4|
Show InChI InChI=1S/C25H25Cl2N5O2/c1-15-16-8-9-20-23(31(2)25(29-20)30-22-17(26)5-3-6-18(22)27)21(16)24(33)28-19(15)7-4-10-32-11-13-34-14-12-32/h3-9H,10-14H2,1-2H3,(H,28,33)(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201100
PNG
(1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCC(=O)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C23H25F4NO3/c1-21(2,17-12-15(24)8-9-20(17)31-3)13-22(30,23(25,26)27)14-28-11-10-19(29)16-6-4-5-7-18(16)28/h4-9,12,30H,10-11,13-14H2,1-3H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201090
PNG
(1-[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1cc(F)ccc1O
Show InChI InChI=1S/C22H21F4NO3/c1-20(2,16-11-14(23)7-8-19(16)29)12-21(30,22(24,25)26)13-27-10-9-18(28)15-5-3-4-6-17(15)27/h3-11,29-30H,12-13H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Jnk2alpha2


Bioorg Med Chem Lett 16: 6316-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.014
BindingDB Entry DOI: 10.7270/Q25M65CN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201096
PNG
(1-[2-hydroxy-4-(2-hydroxyphenyl)-4-methyl-2-(trifl...)
Show SMILES CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1ccccc1O
Show InChI InChI=1S/C22H22F3NO3/c1-20(2,16-8-4-6-10-19(16)28)13-21(29,22(23,24)25)14-26-12-11-18(27)15-7-3-5-9-17(15)26/h3-12,28-29H,13-14H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201082
PNG
(1-[2-hydroxy-4-(2-hydroxy-5-methylphenyl)-4-methyl...)
Show SMILES Cc1ccc(O)c(c1)C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C23H24F3NO3/c1-15-8-9-20(29)17(12-15)21(2,3)13-22(30,23(24,25)26)14-27-11-10-19(28)16-6-4-5-7-18(16)27/h4-12,29-30H,13-14H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201104
PNG
(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
Show InChI InChI=1S/C23H22F4N2O5/c1-12-16-10-14(6-7-15(16)19(30)34-29-12)28-20(31)22(32,23(25,26)27)11-21(2,3)17-9-13(24)5-8-18(17)33-4/h5-10,32H,11H2,1-4H3,(H,28,31)
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126752
PNG
(2-(2,6-Dichloro-phenylamino)-7-(2-hydroxy-vinyl)-1...)
Show SMILES Cc1c(CC=O)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12
Show InChI InChI=1S/C20H16Cl2N4O2/c1-10-11-6-7-15-18(16(11)19(28)23-14(10)8-9-27)26(2)20(24-15)25-17-12(21)4-3-5-13(17)22/h3-7,9H,8H2,1-2H3,(H,23,28)(H,24,25)
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201094
PNG
(1-[4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-...)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C23H23F4NO2/c1-15-8-9-16(24)12-18(15)21(2,3)13-22(30,23(25,26)27)14-28-11-10-20(29)17-6-4-5-7-19(17)28/h4-12,30H,13-14H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201109
PNG
(1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C23H23F4NO3/c1-21(2,17-12-15(24)8-9-20(17)31-3)13-22(30,23(25,26)27)14-28-11-10-19(29)16-6-4-5-7-18(16)28/h4-12,30H,13-14H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201086
PNG
(CHEMBL216273 | cis-1-[4-(5-fluoro-2-methoxyphenyl)...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CN1C[C@H](C)C(=O)[C@H](C)C1)C(F)(F)F |r|
Show InChI InChI=1S/C21H29F4NO3/c1-13-9-26(10-14(2)18(13)27)12-20(28,21(23,24)25)11-19(3,4)16-8-15(22)6-7-17(16)29-5/h6-8,13-14,28H,9-12H2,1-5H3/t13-,14+,20?
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126743
PNG
(7-[3-(Benzyl-methyl-amino)-propenyl]-2-(2,6-dichlo...)
Show SMILES CN(CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C)Cc1ccccc1 |w:3.2|
Show InChI InChI=1S/C29H27Cl2N5O/c1-18-20-14-15-24-27(36(3)29(33-24)34-26-21(30)11-7-12-22(26)31)25(20)28(37)32-23(18)13-8-16-35(2)17-19-9-5-4-6-10-19/h4-15H,16-17H2,1-3H3,(H,32,37)(H,33,34)
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201083
PNG
(1-[2-hydroxy-4-(5-methoxy-2-methylphenyl)-4-methyl...)
Show SMILES COc1ccc(C)c(c1)C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C24H26F3NO3/c1-16-9-10-17(31-4)13-19(16)22(2,3)14-23(30,24(25,26)27)15-28-12-11-21(29)18-7-5-6-8-20(18)28/h5-13,30H,14-15H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201111
PNG
(2-[(2,3-dihydrobenzo[1,4]oxazin-4-yl)methyl]-1,1,1...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCOc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C22H25F4NO3/c1-20(2,16-12-15(23)8-9-18(16)29-3)13-21(28,22(24,25)26)14-27-10-11-30-19-7-5-4-6-17(19)27/h4-9,12,28H,10-11,13-14H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50201099
PNG
(4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4CCOc34)C(F)(F)F)cc12
Show InChI InChI=1S/C24H23F3N2O5/c1-13-17-11-15(7-8-16(17)20(30)34-29-13)28-21(31)23(32,24(25,26)27)12-22(2,3)18-6-4-5-14-9-10-33-19(14)18/h4-8,11,32H,9-10,12H2,1-3H3,(H,28,31)
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n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled RU486 binding to PR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201097
PNG
(1-[2-hydroxy-4-methyl-4-o-tolyl-2-(trifluoromethyl...)
Show SMILES Cc1ccccc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C23H24F3NO2/c1-16-8-4-6-10-18(16)21(2,3)14-22(29,23(24,25)26)15-27-13-12-20(28)17-9-5-7-11-19(17)27/h4-13,29H,14-15H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50201104
PNG
(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
Show InChI InChI=1S/C23H22F4N2O5/c1-12-16-10-14(6-7-15(16)19(30)34-29-12)28-20(31)22(32,23(25,26)27)11-21(2,3)17-9-13(24)5-8-18(17)33-4/h5-10,32H,11H2,1-4H3,(H,28,31)
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled RU486 binding to PR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126734
PNG
(2-(2,6-Dichloro-phenylamino)-1,6,7-trimethyl-1,8-d...)
Show SMILES Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C
Show InChI InChI=1S/C19H16Cl2N4O/c1-9-10(2)22-18(26)15-11(9)7-8-14-17(15)25(3)19(23-14)24-16-12(20)5-4-6-13(16)21/h4-8H,1-3H3,(H,22,26)(H,23,24)
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n/an/a 23n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126736
PNG
(2-(2,6-Dichloro-phenylamino)-4-[(2-hydroxy-ethylam...)
Show SMILES Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3c(CNCCO)cc2c1C
Show InChI InChI=1S/C22H23Cl2N5O2/c1-11-12(2)26-21(31)17-14(11)9-13(10-25-7-8-30)18-20(17)29(3)22(27-18)28-19-15(23)5-4-6-16(19)24/h4-6,9,25,30H,7-8,10H2,1-3H3,(H,26,31)(H,27,28)
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n/an/a 26n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126730
PNG
(2-(2,6-Dichloro-phenylamino)-6-(2-hydroxy-ethyl)-1...)
Show SMILES Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1CCO
Show InChI InChI=1S/C20H18Cl2N4O2/c1-10-11(8-9-27)12-6-7-15-18(16(12)19(28)23-10)26(2)20(24-15)25-17-13(21)4-3-5-14(17)22/h3-7,27H,8-9H2,1-2H3,(H,23,28)(H,24,25)
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n/an/a 27n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201102
PNG
(1-(2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)...)
Show SMILES CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C22H22F3NO2/c1-20(2,16-8-4-3-5-9-16)14-21(28,22(23,24)25)15-26-13-12-19(27)17-10-6-7-11-18(17)26/h3-13,28H,14-15H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126738
PNG
(2-(2,6-Dichloro-phenylamino)-1,7-dimethyl-6-(2-mor...)
Show SMILES Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1CCN1CCOCC1
Show InChI InChI=1S/C24H25Cl2N5O2/c1-14-15(8-9-31-10-12-33-13-11-31)16-6-7-19-22(20(16)23(32)27-14)30(2)24(28-19)29-21-17(25)4-3-5-18(21)26/h3-7H,8-13H2,1-2H3,(H,27,32)(H,28,29)
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n/an/a 30n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
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 tetramethylrhodamine labeled dexamethosone binding to MR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201089
PNG
(1-[4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-meth...)
Show SMILES Cc1cn(CC(O)(CC(C)(C)c2cccc3CCOc23)C(F)(F)F)cc(C)c1=O
Show InChI InChI=1S/C22H26F3NO3/c1-14-10-26(11-15(2)18(14)27)13-21(28,22(23,24)25)12-20(3,4)17-7-5-6-16-8-9-29-19(16)17/h5-7,10-11,28H,8-9,12-13H2,1-4H3
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n/an/a 34n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201088
PNG
(1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2cnccc12)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O3/c1-20(2,16-10-14(23)4-5-19(16)31-3)12-21(30,22(24,25)26)13-28-9-7-18(29)15-11-27-8-6-17(15)28/h4-11,30H,12-13H2,1-3H3
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n/an/a 34n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50201099
PNG
(4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4CCOc34)C(F)(F)F)cc12
Show InChI InChI=1S/C24H23F3N2O5/c1-13-17-11-15(7-8-16(17)20(30)34-29-13)28-21(31)23(32,24(25,26)27)12-22(2,3)18-6-4-5-14-9-10-33-19(14)18/h4-8,11,32H,9-10,12H2,1-3H3,(H,28,31)
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n/an/a 38n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to MR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201091
PNG
(2-[(cis-2,6-dimethylmorpholin-4-yl)methyl]-1,1,1-t...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CN1C[C@H](C)O[C@H](C)C1)C(F)(F)F |r|
Show InChI InChI=1S/C20H29F4NO3/c1-13-9-25(10-14(2)28-13)12-19(26,20(22,23)24)11-18(3,4)16-8-15(21)6-7-17(16)27-5/h6-8,13-14,26H,9-12H2,1-5H3/t13-,14+,19?
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n/an/a 38n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126748
PNG
(2-(2,6-Dichloro-phenylamino)-1,6-dimethyl-7-vinyl-...)
Show SMILES Cc1c(C=C)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12
Show InChI InChI=1S/C20H16Cl2N4O/c1-4-14-10(2)11-8-9-15-18(16(11)19(27)23-14)26(3)20(24-15)25-17-12(21)6-5-7-13(17)22/h4-9H,1H2,2-3H3,(H,23,27)(H,24,25)
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n/an/a 45n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201107
PNG
(1-[4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-...)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2cnccc12)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O2/c1-14-4-5-15(23)10-17(14)20(2,3)12-21(30,22(24,25)26)13-28-9-7-19(29)16-11-27-8-6-18(16)28/h4-11,30H,12-13H2,1-3H3
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n/an/a 48n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50201081
PNG
(1-[4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-meth...)
Show SMILES CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1cccc2CCOc12
Show InChI InChI=1S/C24H24F3NO3/c1-22(2,18-8-5-6-16-11-13-31-21(16)18)14-23(30,24(25,26)27)15-28-12-10-20(29)17-7-3-4-9-19(17)28/h3-10,12,30H,11,13-15H2,1-2H3
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n/an/a 48n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled RU486 binding to PR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126756
PNG
(2-(2,6-Dichloro-phenylamino)-4-(2,6-difluoro-pyrid...)
Show SMILES Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3c(cc2c1C)-c1ccc(F)nc1F
Show InChI InChI=1S/C24H17Cl2F2N5O/c1-10-11(2)29-23(34)18-13(10)9-14(12-7-8-17(27)30-22(12)28)19-21(18)33(3)24(31-19)32-20-15(25)5-4-6-16(20)26/h4-9H,1-3H3,(H,29,34)(H,31,32)
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n/an/a 50n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201080
PNG
(2-(benzoimidazol-1-ylmethyl)-1,1,1-trifluoro-4-(5-...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cnc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,15-10-14(22)8-9-18(15)29-3)11-20(28,21(23,24)25)12-27-13-26-16-6-4-5-7-17(16)27/h4-10,13,28H,11-12H2,1-3H3
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n/an/a 54n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50201095
PNG
(1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ncccc12)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O3/c1-20(2,15-11-14(23)6-7-18(15)31-3)12-21(30,22(24,25)26)13-28-10-8-17(29)19-16(28)5-4-9-27-19/h4-11,30H,12-13H2,1-3H3
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n/an/a 77n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126731
PNG
(3-[2-(2,6-Dichloro-phenylamino)-1,6-dimethyl-9-oxo...)
Show SMILES COC(=O)C=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:4.3|
Show InChI InChI=1S/C22H18Cl2N4O3/c1-11-12-7-8-16-20(18(12)21(30)25-15(11)9-10-17(29)31-3)28(2)22(26-16)27-19-13(23)5-4-6-14(19)24/h4-10H,1-3H3,(H,25,30)(H,26,27)
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n/an/a 86n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50126759
PNG
(2-(2,6-Dichloro-phenylamino)-1,7-dimethyl-9-oxo-8,...)
Show SMILES COC(=O)c1c(C)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12
Show InChI InChI=1S/C20H16Cl2N4O3/c1-9-14(19(28)29-3)10-7-8-13-17(15(10)18(27)23-9)26(2)20(24-13)25-16-11(21)5-4-6-12(16)22/h4-8H,1-3H3,(H,23,27)(H,24,25)
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n/an/a 87n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


J Med Chem 46: 1337-49 (2003)


Article DOI: 10.1021/jm020446l
BindingDB Entry DOI: 10.7270/Q2DN44FW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50201100
PNG
(1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCC(=O)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C23H25F4NO3/c1-21(2,17-12-15(24)8-9-20(17)31-3)13-22(30,23(25,26)27)14-28-11-10-19(29)16-6-4-5-7-18(16)28/h4-9,12,30H,10-11,13-14H2,1-3H3
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n/an/a 90n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled RU486 binding to PR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
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