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Compile Data Set for Download or QSAR

Found 425 hits with Last Name = 'wang' and Initial = 'jh'   
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))
BDBM50355742
PNG
(CHEMBL1911273)
Show SMILES CCN(C)C(=O)c1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
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-/m1/s1
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0.670n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348415
PNG
(CHEMBL1800985)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nncs1
Show InChI InChI=1S/C19H17N3O3S/c1-19(2,17(24)21-18-22-20-10-26-18)16-12-5-3-4-6-14(12)25-15-9-11(23)7-8-13(15)16/h3-10,16,23H,1-2H3,(H,21,22,24)/t16-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355749
PNG
(CHEMBL1911150)
Show SMILES CCc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H24N4O2S/c1-4-16-9-11-17(12-10-16)20-14-13-19-22(18-7-5-6-8-21(18)32-23(19)28-20)26(2,3)24(31)29-25-30-27-15-33-25/h5-15,22H,4H2,1-3H3,(H,29,30,31)/t22-/m1/s1
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50249150
PNG
(8,15-dimethyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2...)
Show SMILES CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1
Show InChI InChI=1S/C22H20N2OS/c1-21-13-22(2,19(25)24-20-23-11-12-26-20)18(14-7-3-5-9-16(14)21)15-8-4-6-10-17(15)21/h3-12,18H,13H2,1-2H3,(H,23,24,25)
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355746
PNG
(CHEMBL1911149)
Show SMILES COc1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C25H22N4O3S/c1-25(2,23(30)28-24-29-26-14-33-24)21-17-6-4-5-7-20(17)32-22-18(21)12-13-19(27-22)15-8-10-16(31-3)11-9-15/h4-14,21H,1-3H3,(H,28,29,30)/t21-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50348401
PNG
(CHEMBL1801012)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H20N2O2S/c1-20(2,18(24)22-19-21-12-13-25-19)17(14-6-4-3-5-7-14)15-8-10-16(23)11-9-15/h3-13,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355716
PNG
(CHEMBL1911276)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCCCC1)C(=O)Nc1nncs1
Show InChI InChI=1S/C30H29N5O3S/c1-30(2,28(37)33-29-34-31-18-39-29)25-21-8-4-5-9-24(21)38-26-22(25)14-15-23(32-26)19-10-12-20(13-11-19)27(36)35-16-6-3-7-17-35/h4-5,8-15,18,25H,3,6-7,16-17H2,1-2H3,(H,33,34,37)/t25-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
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 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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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1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355739
PNG
(CHEMBL1911152)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H26N4O3S/c1-16(2)33-18-11-9-17(10-12-18)21-14-13-20-23(19-7-5-6-8-22(19)34-24(20)29-21)27(3,4)25(32)30-26-31-28-15-35-26/h5-16,23H,1-4H3,(H,30,31,32)/t23-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355730
PNG
(CHEMBL1911274)
Show SMILES CCN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C28H26FN5O3S/c1-5-34(4)25(35)17-11-10-16(14-20(17)29)21-13-12-19-23(18-8-6-7-9-22(18)37-24(19)31-21)28(2,3)26(36)32-27-33-30-15-38-27/h6-15,23H,5H2,1-4H3,(H,32,33,36)/t23-/m1/s1
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1.64n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355723
PNG
(CHEMBL1911277)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCCC2)c(F)c1)C(=O)Nc1nncs1
Show InChI InChI=1S/C30H28FN5O3S/c1-30(2,28(38)34-29-35-32-17-40-29)25-20-8-4-5-9-24(20)39-26-21(25)12-13-23(33-26)18-10-11-19(22(31)16-18)27(37)36-14-6-3-7-15-36/h4-5,8-13,16-17,25H,3,6-7,14-15H2,1-2H3,(H,34,35,38)/t25-/m0/s1
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1.68n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
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
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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1.74n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355740
PNG
(CHEMBL1911272)
Show SMILES CN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H24FN5O3S/c1-27(2,25(35)31-26-32-29-14-37-26)22-17-7-5-6-8-21(17)36-23-18(22)11-12-20(30-23)15-9-10-16(19(28)13-15)24(34)33(3)4/h5-14,22H,1-4H3,(H,31,32,35)/t22-/m1/s1
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1.94n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355729
PNG
(CHEMBL1911280)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)Nc1nncs1
Show InChI InChI=1S/C29H26FN5O3S/c1-29(2,27(37)33-28-34-31-16-39-28)24-19-7-3-4-8-23(19)38-25-20(24)11-12-22(32-25)17-9-10-18(21(30)15-17)26(36)35-13-5-6-14-35/h3-4,7-12,15-16,24H,5-6,13-14H2,1-2H3,(H,33,34,37)/t24-/m0/s1
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1.96n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355745
PNG
(CHEMBL1911151)
Show SMILES CCCc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H26N4O2S/c1-4-7-17-10-12-18(13-11-17)21-15-14-20-23(19-8-5-6-9-22(19)33-24(20)29-21)27(2,3)25(32)30-26-31-28-16-34-26/h5-6,8-16,23H,4,7H2,1-3H3,(H,30,31,32)/t23-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355719
PNG
(CHEMBL1911160)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(N)=O)C(=O)Nc1nncs1
Show InChI InChI=1S/C25H21N5O3S/c1-25(2,23(32)29-24-30-27-13-34-24)20-16-5-3-4-6-19(16)33-22-17(20)11-12-18(28-22)14-7-9-15(10-8-14)21(26)31/h3-13,20H,1-2H3,(H2,26,31)(H,29,30,32)/t20-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355736
PNG
(CHEMBL1911147)
Show SMILES Cc1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C25H22N4O2S/c1-15-8-10-16(11-9-15)19-13-12-18-21(17-6-4-5-7-20(17)31-22(18)27-19)25(2,3)23(30)28-24-29-26-14-32-24/h4-14,21H,1-3H3,(H,28,29,30)/t21-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355726
PNG
(CHEMBL1911281)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCC(F)(F)C2)c(F)c1)C(=O)Nc1nncs1
Show InChI InChI=1S/C29H24F3N5O3S/c1-28(2,26(39)35-27-36-33-15-41-27)23-18-5-3-4-6-22(18)40-24-19(23)9-10-21(34-24)16-7-8-17(20(30)13-16)25(38)37-12-11-29(31,32)14-37/h3-10,13,15,23H,11-12,14H2,1-2H3,(H,35,36,39)/t23-/m0/s1
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2.53n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355717
PNG
(CHEMBL1911278)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1
Show InChI InChI=1S/C29H27N5O4S/c1-29(2,27(36)32-28-33-30-17-39-28)24-20-5-3-4-6-23(20)38-25-21(24)11-12-22(31-25)18-7-9-19(10-8-18)26(35)34-13-15-37-16-14-34/h3-12,17,24H,13-16H2,1-2H3,(H,32,33,36)/t24-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355732
PNG
(CHEMBL1911279)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCOCC2)c(F)c1)C(=O)Nc1nncs1
Show InChI InChI=1S/C29H26FN5O4S/c1-29(2,27(37)33-28-34-31-16-40-28)24-19-5-3-4-6-23(19)39-25-20(24)9-10-22(32-25)17-7-8-18(21(30)15-17)26(36)35-11-13-38-14-12-35/h3-10,15-16,24H,11-14H2,1-2H3,(H,33,34,37)/t24-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355728
PNG
(CHEMBL1911156)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H22N4O3S/c1-15(31)16-8-10-17(11-9-16)20-13-12-19-22(18-6-4-5-7-21(18)33-23(19)28-20)26(2,3)24(32)29-25-30-27-14-34-25/h4-14,22H,1-3H3,(H,29,30,32)/t22-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355725
PNG
(CHEMBL1911282)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCC(F)(F)C2)c(Cl)c1)C(=O)Nc1nncs1
Show InChI InChI=1S/C29H24ClF2N5O3S/c1-28(2,26(39)35-27-36-33-15-41-27)23-18-5-3-4-6-22(18)40-24-19(23)9-10-21(34-24)16-7-8-17(20(30)13-16)25(38)37-12-11-29(31,32)14-37/h3-10,13,15,23H,11-12,14H2,1-2H3,(H,35,36,39)/t23-/m0/s1
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3.08n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355738
PNG
(CHEMBL1911154)
Show SMILES CN(C)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H25N5O2S/c1-26(2,24(32)29-25-30-27-15-34-25)22-18-7-5-6-8-21(18)33-23-19(22)13-14-20(28-23)16-9-11-17(12-10-16)31(3)4/h5-15,22H,1-4H3,(H,29,30,32)/t22-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355722
PNG
(CHEMBL1911157)
Show SMILES CC(C)Oc1ccc(cc1F)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H25FN4O3S/c1-15(2)34-22-12-9-16(13-19(22)28)20-11-10-18-23(17-7-5-6-8-21(17)35-24(18)30-20)27(3,4)25(33)31-26-32-29-14-36-26/h5-15,23H,1-4H3,(H,31,32,33)/t23-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355734
PNG
(CHEMBL1911155)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H24N4O4S2/c1-4-36(32,33)17-11-9-16(10-12-17)20-14-13-19-22(18-7-5-6-8-21(18)34-23(19)28-20)26(2,3)24(31)29-25-30-27-15-35-25/h5-15,22H,4H2,1-3H3,(H,29,30,31)/t22-/m0/s1
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355741
PNG
(CHEMBL1911284)
Show SMILES CN(C)C(=O)c1ccc(nc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H25N5O3S/c1-27(2,25(34)30-26-31-29-15-36-26)23-18-7-5-6-8-21(18)35-22-13-16(9-11-19(22)23)20-12-10-17(14-28-20)24(33)32(3)4/h5-15,23H,1-4H3,(H,30,31,34)
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4.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355721
PNG
(CHEMBL1911285)
Show SMILES CN(C)C(=O)c1cnc(nc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H24N6O3S/c1-26(2,24(34)30-25-31-29-14-36-25)21-17-7-5-6-8-19(17)35-20-11-15(9-10-18(20)21)22-27-12-16(13-28-22)23(33)32(3)4/h5-14,21H,1-4H3,(H,30,31,34)
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4.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355731
PNG
(CHEMBL1911269)
Show SMILES CNC(=O)c1ccc(cc1F)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H22FN5O3S/c1-26(2,24(34)31-25-32-29-13-36-25)21-16-6-4-5-7-20(16)35-23-17(21)10-11-19(30-23)14-8-9-15(18(27)12-14)22(33)28-3/h4-13,21H,1-3H3,(H,28,33)(H,31,32,34)/t21-/m0/s1
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5.48n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355743
PNG
(CHEMBL1911153)
Show SMILES CC(C)([C@@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(O)cc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C24H20N4O3S/c1-24(2,22(30)27-23-28-25-13-32-23)20-16-5-3-4-6-19(16)31-21-17(20)11-12-18(26-21)14-7-9-15(29)10-8-14/h3-13,20,29H,1-2H3,(H,27,28,30)/t20-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355727
PNG
(CHEMBL1911158)
Show SMILES CC(=O)c1ccc(cc1F)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H21FN4O3S/c1-14(32)16-9-8-15(12-19(16)27)20-11-10-18-22(17-6-4-5-7-21(17)34-23(18)29-20)26(2,3)24(33)30-25-31-28-13-35-25/h4-13,22H,1-3H3,(H,30,31,33)/t22-/m0/s1
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355748
PNG
(CHEMBL1911144)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccccc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C24H20N4O2S/c1-24(2,22(29)27-23-28-25-14-31-23)20-16-10-6-7-11-19(16)30-21-17(20)12-13-18(26-21)15-8-4-3-5-9-15/h3-14,20H,1-2H3,(H,27,28,29)/t20-/m0/s1
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7.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355733
PNG
(CHEMBL1911283)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C28H26N4O3S/c1-28(2,26(34)30-27-31-29-16-36-27)24-20-7-5-6-8-22(20)35-23-15-19(13-14-21(23)24)17-9-11-18(12-10-17)25(33)32(3)4/h5-16,24H,1-4H3,(H,30,31,34)
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8.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355737
PNG
(CHEMBL1911268)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H23N5O3S/c1-26(2,24(33)30-25-31-28-14-35-25)21-17-6-4-5-7-20(17)34-23-18(21)12-13-19(29-23)15-8-10-16(11-9-15)22(32)27-3/h4-14,21H,1-3H3,(H,27,32)(H,30,31,33)/t21-/m0/s1
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9.17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355747
PNG
(CHEMBL1911145)
Show SMILES Cc1ccccc1-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C25H22N4O2S/c1-15-8-4-5-9-16(15)19-13-12-18-21(17-10-6-7-11-20(17)31-22(18)27-19)25(2,3)23(30)28-24-29-26-14-32-24/h4-14,21H,1-3H3,(H,28,29,30)/t21-/m0/s1
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10.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355724
PNG
(CHEMBL1911159)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(O)=O)C(=O)Nc1nncs1
Show InChI InChI=1S/C25H20N4O4S/c1-25(2,23(32)28-24-29-26-13-34-24)20-16-5-3-4-6-19(16)33-21-17(20)11-12-18(27-21)14-7-9-15(10-8-14)22(30)31/h3-13,20H,1-2H3,(H,30,31)(H,28,29,32)/t20-/m0/s1
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15.4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355715
PNG
(CHEMBL1911275)
Show SMILES CCN(C)C(=O)c1ccc(cc1Cl)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C28H26ClN5O3S/c1-5-34(4)25(35)17-11-10-16(14-20(17)29)21-13-12-19-23(18-8-6-7-9-22(18)37-24(19)31-21)28(2,3)26(36)32-27-33-30-15-38-27/h6-15,23H,5H2,1-4H3,(H,32,33,36)/t23-/m1/s1
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15.7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355744
PNG
(CHEMBL1911146)
Show SMILES Cc1cccc(c1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C25H22N4O2S/c1-15-7-6-8-16(13-15)19-12-11-18-21(17-9-4-5-10-20(17)31-22(18)27-19)25(2,3)23(30)28-24-29-26-14-32-24/h4-14,21H,1-3H3,(H,28,29,30)/t21-/m0/s1
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24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355720
PNG
(CHEMBL1911148)
Show SMILES COc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C25H22N4O3S/c1-25(2,23(30)28-24-29-26-14-33-24)21-17-6-4-5-7-20(17)32-22-18(21)12-13-19(27-22)15-8-10-16(31-3)11-9-15/h4-14,21H,1-3H3,(H,28,29,30)/t21-/m1/s1
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49.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50348415
PNG
(CHEMBL1800985)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nncs1
Show InChI InChI=1S/C19H17N3O3S/c1-19(2,17(24)21-18-22-20-10-26-18)16-12-5-3-4-6-14(12)25-15-9-11(23)7-8-13(15)16/h3-10,16,23H,1-2H3,(H,21,22,24)/t16-/m0/s1
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53n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of fluorescently labeled ligand from progesterone receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50348401
PNG
(CHEMBL1801012)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H20N2O2S/c1-20(2,18(24)22-19-21-12-13-25-19)17(14-6-4-3-5-7-14)15-8-10-16(23)11-9-15/h3-13,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1
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273n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of fluorescently labeled ligand from progesterone receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355745
PNG
(CHEMBL1911151)
Show SMILES CCCc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H26N4O2S/c1-4-7-17-10-12-18(13-11-17)21-15-14-20-23(19-8-5-6-9-22(19)33-24(20)29-21)27(2,3)25(32)30-26-31-28-16-34-26/h5-6,8-16,23H,4,7H2,1-3H3,(H,30,31,32)/t23-/m1/s1
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285n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of fluorescently labeled ligand from progesterone receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355739
PNG
(CHEMBL1911152)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H26N4O3S/c1-16(2)33-18-11-9-17(10-12-18)21-14-13-20-23(19-7-5-6-8-22(19)34-24(20)29-21)27(3,4)25(32)30-26-31-28-15-35-26/h5-16,23H,1-4H3,(H,30,31,32)/t23-/m1/s1
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310n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of fluorescently labeled ligand from progesterone receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355750
PNG
(CHEMBL1911143)
Show SMILES CC(C)(C1c2ccccc2Oc2ncccc12)C(=O)Nc1nncs1
Show InChI InChI=1S/C18H16N4O2S/c1-18(2,16(23)21-17-22-20-10-25-17)14-11-6-3-4-8-13(11)24-15-12(14)7-5-9-19-15/h3-10,14H,1-2H3,(H,21,22,23)
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412n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355718
PNG
(CHEMBL1911271)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
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-/m1/s1
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486n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50348415
PNG
(CHEMBL1800985)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nncs1
Show InChI InChI=1S/C19H17N3O3S/c1-19(2,17(24)21-18-22-20-10-26-18)16-12-5-3-4-6-14(12)25-15-9-11(23)7-8-13(15)16/h3-10,16,23H,1-2H3,(H,21,22,24)/t16-/m0/s1
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696n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of fluorescently labeled ligand from androgen receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50348401
PNG
(CHEMBL1801012)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H20N2O2S/c1-20(2,18(24)22-19-21-12-13-25-19)17(14-6-4-3-5-7-14)15-8-10-16(23)11-9-15/h3-13,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1
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1.06E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of fluorescently labeled ligand from androgen receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
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
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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1.23E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of fluorescently labeled ligand from progesterone receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355740
PNG
(CHEMBL1911272)
Show SMILES CN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H24FN5O3S/c1-27(2,25(35)31-26-32-29-14-37-26)22-17-7-5-6-8-21(17)36-23-18(22)11-12-20(30-23)15-9-10-16(19(28)13-15)24(34)33(3)4/h5-14,22H,1-4H3,(H,31,32,35)/t22-/m1/s1
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1.53E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of fluorescently labeled ligand from progesterone receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355730
PNG
(CHEMBL1911274)
Show SMILES CCN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C28H26FN5O3S/c1-5-34(4)25(35)17-11-10-16(14-20(17)29)21-13-12-19-23(18-8-6-7-9-22(18)37-24(19)31-21)28(2,3)26(36)32-27-33-30-15-38-27/h6-15,23H,5H2,1-4H3,(H,32,33,36)/t23-/m1/s1
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1.83E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of fluorescently labeled ligand from progesterone receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50234559
PNG
(CHEMBL4081664)
Show SMILES OC[C@H]1N[C@H](CNC(=O)CCCCC2CCCCC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H32N2O4/c20-11-14-17(23)16(22)13(19-14)10-18-15(21)9-5-4-8-12-6-2-1-3-7-12/h12-14,16-17,19-20,22-23H,1-11H2,(H,18,21)/t13-,14-,16-,17+/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



National Cheng Kung University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human alpha GAL-A using varying levels of 4-methylumbelliferyl alpha-D-galactopyranoside substrate at pH 7 ...


Eur J Med Chem 126: 1-6 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.004
BindingDB Entry DOI: 10.7270/Q2KP84DV
More data for this
Ligand-Target Pair
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