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Compile Data Set for Download or QSAR

Found 153 hits Enz. Inhib. hit(s) with all data for entry = 50045174   
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))
BDBM50048342
PNG
(CHEMBL3315064 | US9593113, Example 30)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCC1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C28H27FN4O4/c1-28(2,26(35)32-27(30)36)22-18-6-5-7-20(29)23(18)37-24-19(22)12-13-21(31-24)16-8-10-17(11-9-16)25(34)33-14-3-4-15-33/h5-13,22H,3-4,14-15H2,1-2H3,(H3,30,32,35,36)/t22-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048348
PNG
(CHEMBL3315070)
Show SMILES CC(C)Oc1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C25H25FN4O4/c1-13(2)33-19-11-8-14(12-28-19)18-10-9-16-20(25(3,4)23(31)30-24(27)32)15-6-5-7-17(26)21(15)34-22(16)29-18/h5-13,20H,1-4H3,(H3,27,30,31,32)/t20-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048344
PNG
(CHEMBL3315066)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CC[C@H](F)C1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C28H26F2N4O4/c1-28(2,26(36)33-27(31)37)22-18-4-3-5-20(30)23(18)38-24-19(22)10-11-21(32-24)15-6-8-16(9-7-15)25(35)34-13-12-17(29)14-34/h3-11,17,22H,12-14H2,1-2H3,(H3,31,33,36,37)/t17-,22-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
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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1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048341
PNG
(CHEMBL3315063 | US9593113, Example 28)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C28H28N4O5/c1-28(2,26(34)31-27(29)35)23-19-5-3-4-6-22(19)37-24-20(23)11-12-21(30-24)17-7-9-18(10-8-17)25(33)32-13-15-36-16-14-32/h3-12,23H,13-16H2,1-2H3,(H3,29,31,34,35)/t23-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048327
PNG
(CHEMBL3315049)
Show SMILES CCN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C28H27N5O3S/c1-5-33(4)25(34)18-12-10-17(11-13-18)21-15-14-20-23(19-8-6-7-9-22(19)36-24(20)30-21)28(2,3)26(35)31-27-32-29-16-37-27/h6-16,23H,5H2,1-4H3,(H,31,32,35)/t23-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048340
PNG
(CHEMBL3315062)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C29H26FN5O4S/c1-29(2,27(37)33-28-34-31-16-40-28)23-19-4-3-5-21(30)24(19)39-25-20(23)10-11-22(32-25)17-6-8-18(9-7-17)26(36)35-12-14-38-15-13-35/h3-11,16,23H,12-15H2,1-2H3,(H,33,34,37)/t23-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048343
PNG
(CHEMBL3315065 | US9593113, Example 40)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCCC1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C28H28N4O4/c1-28(2,26(34)31-27(29)35)23-19-7-3-4-8-22(19)36-24-20(23)13-14-21(30-24)17-9-11-18(12-10-17)25(33)32-15-5-6-16-32/h3-4,7-14,23H,5-6,15-16H2,1-2H3,(H3,29,31,34,35)/t23-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355735
PNG
(CHEMBL1911270)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C27H25N5O3S/c1-27(2,25(34)30-26-31-28-15-36-26)22-18-7-5-6-8-21(18)35-23-19(22)13-14-20(29-23)16-9-11-17(12-10-16)24(33)32(3)4/h5-15,22H,1-4H3,(H,30,31,34)/t22-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048345
PNG
(CHEMBL3315067 | US9593113, Example 46)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCCC1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C27H26FN5O4/c1-27(2,25(35)32-26(29)36)21-16-6-5-7-18(28)22(16)37-23-17(21)9-11-19(31-23)15-8-10-20(30-14-15)24(34)33-12-3-4-13-33/h5-11,14,21H,3-4,12-13H2,1-2H3,(H3,29,32,35,36)/t21-/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048339
PNG
(CHEMBL3315061)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C28H27FN4O5/c1-28(2,26(35)32-27(30)36)22-18-4-3-5-20(29)23(18)38-24-19(22)10-11-21(31-24)16-6-8-17(9-7-16)25(34)33-12-14-37-15-13-33/h3-11,22H,12-15H2,1-2H3,(H3,30,32,35,36)/t22-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048329
PNG
(CHEMBL3315051 | US9593113, Example 8)
Show SMILES CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C29H28FN3O4/c1-17(34)31-28(36)29(2,3)24-20-7-6-8-22(30)25(20)37-26-21(24)13-14-23(32-26)18-9-11-19(12-10-18)27(35)33-15-4-5-16-33/h6-14,24H,4-5,15-16H2,1-3H3,(H,31,34,36)/t24-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048347
PNG
(CHEMBL3315069)
Show SMILES CC(C)(O)c1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C25H25FN4O4/c1-24(2,22(31)30-23(27)32)19-14-6-5-7-16(26)20(14)34-21-15(19)9-10-17(29-21)13-8-11-18(28-12-13)25(3,4)33/h5-12,19,33H,1-4H3,(H3,27,30,31,32)/t19-/m0/s1
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048336
PNG
(CHEMBL3315058 | US9593113, Example 22)
Show SMILES CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C30H31FN4O5/c1-4-32-29(38)34-28(37)30(2,3)24-20-6-5-7-22(31)25(20)40-26-21(24)12-13-23(33-26)18-8-10-19(11-9-18)27(36)35-14-16-39-17-15-35/h5-13,24H,4,14-17H2,1-3H3,(H2,32,34,37,38)/t24-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048330
PNG
(CHEMBL3315052 | US9593113, Example 2)
Show SMILES CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C29H28FN3O5/c1-17(34)31-28(36)29(2,3)24-20-5-4-6-22(30)25(20)38-26-21(24)11-12-23(32-26)18-7-9-19(10-8-18)27(35)33-13-15-37-16-14-33/h4-12,24H,13-16H2,1-3H3,(H,31,34,36)/t24-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048335
PNG
(CHEMBL3315057)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C29H29FN4O5/c1-29(2,27(36)33-28(37)31-3)23-19-5-4-6-21(30)24(19)39-25-20(23)11-12-22(32-25)17-7-9-18(10-8-17)26(35)34-13-15-38-16-14-34/h4-12,23H,13-16H2,1-3H3,(H2,31,33,36,37)/t23-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048346
PNG
(CHEMBL3315068 | US9593113, Example 48)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C27H26FN5O5/c1-27(2,25(35)32-26(29)36)21-16-4-3-5-18(28)22(16)38-23-17(21)7-9-19(31-23)15-6-8-20(30-14-15)24(34)33-10-12-37-13-11-33/h3-9,14,21H,10-13H2,1-2H3,(H3,29,32,35,36)/t21-/m0/s1
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7.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048338
PNG
(CHEMBL3315060 | US9593113, Example 24)
Show SMILES COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(nc3Oc3c(F)cccc23)-c2ccc(cc2)C(=O)N2CCOCC2)cc1 |r|
Show InChI InChI=1S/C36H35FN4O6/c1-36(2,34(43)40-35(44)38-21-22-7-13-25(45-3)14-8-22)30-26-5-4-6-28(37)31(26)47-32-27(30)15-16-29(39-32)23-9-11-24(12-10-23)33(42)41-17-19-46-20-18-41/h4-16,30H,17-21H2,1-3H3,(H2,38,40,43,44)/t30-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048332
PNG
(CHEMBL3315054 | US9593113, Example 7)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C31H30FN3O5/c1-31(2,30(38)34-27(36)19-8-9-19)25-21-4-3-5-23(32)26(21)40-28-22(25)12-13-24(33-28)18-6-10-20(11-7-18)29(37)35-14-16-39-17-15-35/h3-7,10-13,19,25H,8-9,14-17H2,1-2H3,(H,34,36,38)/t25-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048337
PNG
(CHEMBL3315059)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)NC1CCC1 |r|
Show InChI InChI=1S/C32H33FN4O5/c1-32(2,30(39)36-31(40)34-21-5-3-6-21)26-22-7-4-8-24(33)27(22)42-28-23(26)13-14-25(35-28)19-9-11-20(12-10-19)29(38)37-15-17-41-18-16-37/h4,7-14,21,26H,3,5-6,15-18H2,1-2H3,(H2,34,36,39,40)/t26-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048333
PNG
(CHEMBL3315055 | US9593113, Example 9)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CCC1 |r|
Show InChI InChI=1S/C32H32FN3O5/c1-32(2,31(39)35-28(37)20-5-3-6-20)26-22-7-4-8-24(33)27(22)41-29-23(26)13-14-25(34-29)19-9-11-21(12-10-19)30(38)36-15-17-40-18-16-36/h4,7-14,20,26H,3,5-6,15-18H2,1-2H3,(H,35,37,39)/t26-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048331
PNG
(CHEMBL3315053 | US9593113, Example 6)
Show SMILES CC(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C31H32FN3O5/c1-18(2)27(36)34-30(38)31(3,4)25-21-6-5-7-23(32)26(21)40-28-22(25)12-13-24(33-28)19-8-10-20(11-9-19)29(37)35-14-16-39-17-15-35/h5-13,18,25H,14-17H2,1-4H3,(H,34,36,38)/t25-/m0/s1
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048346
PNG
(CHEMBL3315068 | US9593113, Example 48)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C27H26FN5O5/c1-27(2,25(35)32-26(29)36)21-16-4-3-5-18(28)22(16)38-23-17(21)7-9-19(31-23)15-6-8-20(30-14-15)24(34)33-10-12-37-13-11-33/h3-9,14,21H,10-13H2,1-2H3,(H3,29,32,35,36)/t21-/m0/s1
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23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048340
PNG
(CHEMBL3315062)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C29H26FN5O4S/c1-29(2,27(37)33-28-34-31-16-40-28)23-19-4-3-5-21(30)24(19)39-25-20(23)10-11-22(32-25)17-6-8-18(9-7-17)26(36)35-12-14-38-15-13-35/h3-11,16,23H,12-15H2,1-2H3,(H,33,34,37)/t23-/m0/s1
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45n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048339
PNG
(CHEMBL3315061)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C28H27FN4O5/c1-28(2,26(35)32-27(30)36)22-18-4-3-5-20(29)23(18)38-24-19(22)10-11-21(31-24)16-6-8-17(9-7-16)25(34)33-12-14-37-15-13-33/h3-11,22H,12-15H2,1-2H3,(H3,30,32,35,36)/t22-/m0/s1
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53n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048328
PNG
(CHEMBL3315050 | US9593113, Example 3)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(C)=O |r|
Show InChI InChI=1S/C27H26FN3O4/c1-15(32)29-26(34)27(2,3)22-18-7-6-8-20(28)23(18)35-24-19(22)13-14-21(30-24)16-9-11-17(12-10-16)25(33)31(4)5/h6-14,22H,1-5H3,(H,29,32,34)/t22-/m0/s1
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69n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048347
PNG
(CHEMBL3315069)
Show SMILES CC(C)(O)c1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C25H25FN4O4/c1-24(2,22(31)30-23(27)32)19-14-6-5-7-16(26)20(14)34-21-15(19)9-10-17(29-21)13-8-11-18(28-12-13)25(3,4)33/h5-12,19,33H,1-4H3,(H3,27,30,31,32)/t19-/m0/s1
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106n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048334
PNG
(CHEMBL3315056)
Show SMILES CN(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C30H31FN4O5/c1-30(2,28(37)33-29(38)34(3)4)24-20-6-5-7-22(31)25(20)40-26-21(24)12-13-23(32-26)18-8-10-19(11-9-18)27(36)35-14-16-39-17-15-35/h5-13,24H,14-17H2,1-4H3,(H,33,37,38)/t24-/m0/s1
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111n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048330
PNG
(CHEMBL3315052 | US9593113, Example 2)
Show SMILES CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C29H28FN3O5/c1-17(34)31-28(36)29(2,3)24-20-5-4-6-22(30)25(20)38-26-21(24)11-12-23(32-26)18-7-9-19(10-8-18)27(35)33-13-15-37-16-14-33/h4-12,24H,13-16H2,1-3H3,(H,31,34,36)/t24-/m0/s1
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268n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048341
PNG
(CHEMBL3315063 | US9593113, Example 28)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C28H28N4O5/c1-28(2,26(34)31-27(29)35)23-19-5-3-4-6-22(19)37-24-20(23)11-12-21(30-24)17-7-9-18(10-8-17)25(33)32-13-15-36-16-14-32/h3-12,23H,13-16H2,1-2H3,(H3,29,31,34,35)/t23-/m0/s1
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282n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048348
PNG
(CHEMBL3315070)
Show SMILES CC(C)Oc1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C25H25FN4O4/c1-13(2)33-19-11-8-14(12-28-19)18-10-9-16-20(25(3,4)23(31)30-24(27)32)15-6-5-7-17(26)21(15)34-22(16)29-18/h5-13,20H,1-4H3,(H3,27,30,31,32)/t20-/m0/s1
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313n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048342
PNG
(CHEMBL3315064 | US9593113, Example 30)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCC1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C28H27FN4O4/c1-28(2,26(35)32-27(30)36)22-18-6-5-7-20(29)23(18)37-24-19(22)12-13-21(31-24)16-8-10-17(11-9-16)25(34)33-14-3-4-15-33/h5-13,22H,3-4,14-15H2,1-2H3,(H3,30,32,35,36)/t22-/m0/s1
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604n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048338
PNG
(CHEMBL3315060 | US9593113, Example 24)
Show SMILES COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(nc3Oc3c(F)cccc23)-c2ccc(cc2)C(=O)N2CCOCC2)cc1 |r|
Show InChI InChI=1S/C36H35FN4O6/c1-36(2,34(43)40-35(44)38-21-22-7-13-25(45-3)14-8-22)30-26-5-4-6-28(37)31(26)47-32-27(30)15-16-29(39-32)23-9-11-24(12-10-23)33(42)41-17-19-46-20-18-41/h4-16,30H,17-21H2,1-3H3,(H2,38,40,43,44)/t30-/m0/s1
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623n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
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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778n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048335
PNG
(CHEMBL3315057)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C29H29FN4O5/c1-29(2,27(36)33-28(37)31-3)23-19-5-4-6-21(30)24(19)39-25-20(23)11-12-22(32-25)17-7-9-18(10-8-17)26(35)34-13-15-38-16-14-34/h4-12,23H,13-16H2,1-3H3,(H2,31,33,36,37)/t23-/m0/s1
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1.17E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048345
PNG
(CHEMBL3315067 | US9593113, Example 46)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCCC1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C27H26FN5O4/c1-27(2,25(35)32-26(29)36)21-16-6-5-7-18(28)22(16)37-23-17(21)9-11-19(31-23)15-8-10-20(30-14-15)24(34)33-12-3-4-13-33/h5-11,14,21H,3-4,12-13H2,1-2H3,(H3,29,32,35,36)/t21-/m0/s1
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1.36E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355735
PNG
(CHEMBL1911270)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C27H25N5O3S/c1-27(2,25(34)30-26-31-28-15-36-26)22-18-7-5-6-8-21(18)35-23-19(22)13-14-20(29-23)16-9-11-17(12-10-16)24(33)32(3)4/h5-15,22H,1-4H3,(H,30,31,34)/t22-/m0/s1
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1.53E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048327
PNG
(CHEMBL3315049)
Show SMILES CCN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C28H27N5O3S/c1-5-33(4)25(34)18-12-10-17(11-13-18)21-15-14-20-23(19-8-6-7-9-22(19)36-24(20)30-21)28(2,3)26(35)31-27-32-29-16-37-27/h6-16,23H,5H2,1-4H3,(H,31,32,35)/t23-/m0/s1
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1.83E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048332
PNG
(CHEMBL3315054 | US9593113, Example 7)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C31H30FN3O5/c1-31(2,30(38)34-27(36)19-8-9-19)25-21-4-3-5-23(32)26(21)40-28-22(25)12-13-24(33-28)18-6-10-20(11-7-18)29(37)35-14-16-39-17-15-35/h3-7,10-13,19,25H,8-9,14-17H2,1-2H3,(H,34,36,38)/t25-/m0/s1
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2.04E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048343
PNG
(CHEMBL3315065 | US9593113, Example 40)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCCC1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C28H28N4O4/c1-28(2,26(34)31-27(29)35)23-19-7-3-4-8-22(19)36-24-20(23)13-14-21(30-24)17-9-11-18(12-10-17)25(33)32-15-5-6-16-32/h3-4,7-14,23H,5-6,15-16H2,1-2H3,(H3,29,31,34,35)/t23-/m0/s1
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2.32E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048336
PNG
(CHEMBL3315058 | US9593113, Example 22)
Show SMILES CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C30H31FN4O5/c1-4-32-29(38)34-28(37)30(2,3)24-20-6-5-7-22(31)25(20)40-26-21(24)12-13-23(33-26)18-8-10-19(11-9-18)27(36)35-14-16-39-17-15-35/h5-13,24H,4,14-17H2,1-3H3,(H2,32,34,37,38)/t24-/m0/s1
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2.91E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048331
PNG
(CHEMBL3315053 | US9593113, Example 6)
Show SMILES CC(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C31H32FN3O5/c1-18(2)27(36)34-30(38)31(3,4)25-21-6-5-7-23(32)26(21)40-28-22(25)12-13-24(33-28)19-8-10-20(11-9-19)29(37)35-14-16-39-17-15-35/h5-13,18,25H,14-17H2,1-4H3,(H,34,36,38)/t25-/m0/s1
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5.04E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048337
PNG
(CHEMBL3315059)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)NC1CCC1 |r|
Show InChI InChI=1S/C32H33FN4O5/c1-32(2,30(39)36-31(40)34-21-5-3-6-21)26-22-7-4-8-24(33)27(22)42-28-23(26)13-14-25(35-28)19-9-11-20(12-10-19)29(38)37-15-17-41-18-16-37/h4,7-14,21,26H,3,5-6,15-18H2,1-2H3,(H2,34,36,39,40)/t26-/m0/s1
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5.34E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048333
PNG
(CHEMBL3315055 | US9593113, Example 9)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CCC1 |r|
Show InChI InChI=1S/C32H32FN3O5/c1-32(2,31(39)35-28(37)20-5-3-6-20)26-22-7-4-8-24(33)27(22)41-29-23(26)13-14-25(34-29)19-9-11-21(12-10-19)30(38)36-15-17-40-18-16-36/h4,7-14,20,26H,3,5-6,15-18H2,1-2H3,(H,35,37,39)/t26-/m0/s1
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5.34E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048334
PNG
(CHEMBL3315056)
Show SMILES CN(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C30H31FN4O5/c1-30(2,28(37)33-29(38)34(3)4)24-20-6-5-7-22(31)25(20)40-26-21(24)12-13-23(32-26)18-8-10-19(11-9-18)27(36)35-14-16-39-17-15-35/h5-13,24H,14-17H2,1-4H3,(H,33,37,38)/t24-/m0/s1
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1.06E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048329
PNG
(CHEMBL3315051 | US9593113, Example 8)
Show SMILES CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C29H28FN3O4/c1-17(34)31-28(36)29(2,3)24-20-7-6-8-22(30)25(20)37-26-21(24)13-14-23(32-26)18-9-11-19(12-10-18)27(35)33-15-4-5-16-33/h6-14,24H,4-5,15-16H2,1-3H3,(H,31,34,36)/t24-/m0/s1
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1.24E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048328
PNG
(CHEMBL3315050 | US9593113, Example 3)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(C)=O |r|
Show InChI InChI=1S/C27H26FN3O4/c1-15(32)29-26(34)27(2,3)22-18-7-6-8-20(28)23(18)35-24-19(22)13-14-21(30-24)16-9-11-17(12-10-16)25(33)31(4)5/h6-14,22H,1-5H3,(H,29,32,34)/t22-/m0/s1
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1.24E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50048344
PNG
(CHEMBL3315066)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CC[C@H](F)C1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C28H26F2N4O4/c1-28(2,26(36)33-27(31)37)22-18-4-3-5-20(30)23(18)38-24-19(22)10-11-21(32-24)15-6-8-16(9-7-15)25(35)34-13-12-17(29)14-34/h3-11,17,22H,12-14H2,1-2H3,(H3,31,33,36,37)/t17-,22-/m0/s1
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3.33E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50048339
PNG
(CHEMBL3315061)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
Show InChI InChI=1S/C28H27FN4O5/c1-28(2,26(35)32-27(30)36)22-18-4-3-5-20(29)23(18)38-24-19(22)10-11-21(31-24)16-6-8-17(9-7-16)25(34)33-12-14-37-15-13-33/h3-11,22H,12-15H2,1-2H3,(H3,30,32,35,36)/t22-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor (unknown origin)


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50048340
PNG
(CHEMBL3315062)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C29H26FN5O4S/c1-29(2,27(37)33-28-34-31-16-40-28)23-19-4-3-5-21(30)24(19)39-25-20(23)10-11-22(32-25)17-6-8-18(9-7-17)26(36)35-12-14-38-15-13-35/h3-11,16,23H,12-15H2,1-2H3,(H,33,34,37)/t23-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor (unknown origin)


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
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