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Compile Data Set for Download or QSAR

Found 2141 hits with Last Name = 'yang' and Initial = 'mg'   
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))
BDBM299269
PNG
(US9593113, Example 34)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
PDB

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0.25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299305
PNG
(US9593113, Example 69)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
PDB

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0.320n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299270
PNG
(US9593113, Example 35 | US9593113, Example 47)
Show SMILES CC(C)Oc1ccc(cc1F)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
PDB

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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299266
PNG
(US9593113, Example 31)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
PDB

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0.430n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299293
PNG
(US9593113, Example 57 | US9593113, Example 65)
Show SMILES CC(C)Oc1ccc(cn1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
PDB

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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299318
PNG
(US9593113, Example 82)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
PDB

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0.580n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299268
PNG
(US9593113, Example 33)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)S(C)(=O)=O)C(=O)NC(N)=O |r|
PDB

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0.590n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299304
PNG
(US9593113, Example 68)
Show SMILES COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(nc3Oc3c(F)cccc23)-c2ccc(OC(C)C)nc2)cc1 |r|
PDB

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0.630n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351897
PNG
((S)-5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-2-y...)
Show SMILES CCOc1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r|
PDB

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0.660n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351895
PNG
((S)-5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-2-y...)
Show SMILES CC(C)Oc1ccc(cc1F)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r|
PDB

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0.670n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
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=1/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-/s2
PDB

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0.720n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351893
PNG
((S)-2-(9-Fluoro-2-(4-(1-methyl-1H-tetrazol-5-yl)ph...)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r|
PDB

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0.760n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299271
PNG
(US9593113, Example 36)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
PDB

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0.800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351896
PNG
((S)-5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-2-y...)
Show SMILES CC(C)(C)Oc1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r|
PDB

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0.820n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299281
PNG
(US9593113, Example 45)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)-n1cnnn1)C(=O)NC(N)=O |r|
PDB

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0.820n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299270
PNG
(US9593113, Example 35 | US9593113, Example 47)
Show SMILES CC(C)Oc1ccc(cc1F)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
PDB

KEGG

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0.840n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299279
PNG
(US9593113, Example 43)
Show SMILES CCCCc1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
PDB

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0.910n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299278
PNG
(US9593113, Example 42)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)-c1ccccc1)C(=O)NC(N)=O |r|
PDB

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0.920n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299320
PNG
(US9593113, Example 84)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCC1)C(=O)NC(N)=O |r|
PDB

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0.930n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299275
PNG
(US9593113, Example 39)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
PDB

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0.930n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299285
PNG
(US9593113, Example 49)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCC(F)(F)C2)c(F)c1)C(=O)NC(N)=O |r|
PDB

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1.09n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299277
PNG
(US9593113, Example 41)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)N1CCOCC1)C(=O)NC(N)=O |r|
PDB

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1.11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299319
PNG
(Step 1 | US9593113, Example 83)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCCC1)C(N)=O |r|
PDB

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1.11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299296
PNG
(US9593113, Example 60)
Show SMILES CC(C)Nc1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
PDB

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1.13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299298
PNG
(US9593113, Example 62)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(NC2CC2)nc1)C(=O)NC(N)=O |r|
PDB

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1.15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299306
PNG
(US9593113, Example 70)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
PDB

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1.19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299321
PNG
(US9593113, Example 85)
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|
PDB

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1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299287
PNG
(US9593113, Example 51)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)NC(N)=O |r|
PDB

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1.34n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351905
PNG
((S)-5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-2-y...)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccccc1)c1nc2nccnc2[nH]1 |r|
PDB

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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351892
PNG
(4-(1-Methyl-1H-tetrazol-5-yl)phenylboronic acid | ...)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r|
PDB

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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299249
PNG
(US9593113, Example 15)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(C)(C)O |r|
PDB

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1.42n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299255
PNG
(US9593113, Example 21)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)Nc1ccccc1 |r|
PDB

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1.42n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299303
PNG
(US9593113, Example 67)
Show SMILES Cc1nnn(n1)-c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
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1.51n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299250
PNG
(US9593113, Example 16)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(OC(C)C)cc1 |r|
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299295
PNG
(US9593113, Example 59)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(nc1)N1CCOCC1)C(=O)NC(N)=O |r|
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1.66n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299300
PNG
(US9593113, Example 64)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)N1CCCCC1)C(=O)NC(N)=O |r|
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299317
PNG
(US9593113, Example 81)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)-n1cnnn1)C(=O)NN |r|
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1.71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299309
PNG
(US9593113, Example 73)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccncc1)C(=O)NC(N)=O |r|
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1.72n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299273
PNG
(US9593113, Example 38)
Show SMILES CCC(C)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
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1.74n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299272
PNG
(US9593113, Example 37)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)-c1ccccc1)C(=O)NC(N)=O |r|
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1.74n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM299286
PNG
(US9593113, Example 50)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCC(F)(F)C1)C(=O)NC(N)=O |r|
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1.76n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351908
PNG
((S)-N-(4-(5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)prop...)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(NS(C)(=O)=O)cc1)c1nc2nccnc2[nH]1 |r|
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1.76n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
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=1/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-/s2
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1.81n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351909
PNG
((S)-1-(4-(5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)prop...)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)N1CCCC1=O)c1nc2nccnc2[nH]1 |r|
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1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9796720 (2017)

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=1/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-/s2
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1.93n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351916
PNG
((S)-5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-2-y...)
Show SMILES Cn1nnnc1-c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r|
PDB

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1.94n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9796720 (2017)

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=1/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-/s2
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1.97n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9593113 (2017)


BindingDB Entry DOI: 10.7270/Q2833V3Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351894
PNG
(6-(Morpholine-4-carbonyl)pyridin-3-ylboronic acid ...)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r|
PDB

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2.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351891
PNG
((S)-2-(9-Fluoro-2-(4-(morpholine-4-carbonyl)phenyl...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r|
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2.34n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351888
PNG
((S)-5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-2-y...)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r|
PDB

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2.35n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent




US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
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