BindingDB logo
myBDB logout

Patent code US9796720

Compile Data Set for Download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
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))
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
Show InChI InChI=1S/C28H24FN5O2/c1-4-35-17-10-8-16(9-11-17)21-13-12-19-22(18-6-5-7-20(29)23(18)36-26(19)32-21)28(2,3)27-33-24-25(34-27)31-15-14-30-24/h5-15,22H,4H2,1-3H3,(H,30,31,33,34)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.660n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


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
Show InChI InChI=1S/C29H25F2N5O2/c1-15(2)37-22-11-8-16(14-20(22)31)21-10-9-18-23(17-6-5-7-19(30)24(17)38-27(18)34-21)29(3,4)28-35-25-26(36-28)33-13-12-32-25/h5-15,23H,1-4H3,(H,32,33,35,36)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.670n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

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
Show InChI InChI=1S/C29H26FN5O2/c1-16(2)36-18-10-8-17(9-11-18)22-13-12-20-23(19-6-5-7-21(30)24(19)37-27(20)33-22)29(3,4)28-34-25-26(35-28)32-15-14-31-25/h5-16,23H,1-4H3,(H,31,32,34,35)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.760n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

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
Show InChI InChI=1S/C30H28FN5O2/c1-29(2,3)38-18-11-9-17(10-12-18)22-14-13-20-23(19-7-6-8-21(31)24(19)37-27(20)34-22)30(4,5)28-35-25-26(36-28)33-16-15-32-25/h6-16,23H,1-5H3,(H,32,33,35,36)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.820n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


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
Show InChI InChI=1S/C29H26FN5O3S/c1-16(2)39(36,37)18-10-8-17(9-11-18)22-13-12-20-23(19-6-5-7-21(30)24(19)38-27(20)33-22)29(3,4)28-34-25-26(35-28)32-15-14-31-25/h5-16,23H,1-4H3,(H,31,32,34,35)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

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
Show InChI InChI=1S/C26H20FN5O/c1-26(2,25-31-22-23(32-25)29-14-13-28-22)20-16-9-6-10-18(27)21(16)33-24-17(20)11-12-19(30-24)15-7-4-3-5-8-15/h3-14,20H,1-2H3,(H,28,29,31,32)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

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
Show InChI InChI=1S/C27H23FN6O3S/c1-27(2,26-32-23-24(33-26)30-14-13-29-23)21-17-5-4-6-19(28)22(17)37-25-18(21)11-12-20(31-25)15-7-9-16(10-8-15)34-38(3,35)36/h4-14,21,34H,1-3H3,(H,29,30,32,33)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.76n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

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
Show InChI InChI=1S/C30H25FN6O2/c1-30(2,29-35-26-27(36-29)33-15-14-32-26)24-19-5-3-6-21(31)25(19)39-28-20(24)12-13-22(34-28)17-8-10-18(11-9-17)37-16-4-7-23(37)38/h3,5-6,8-15,24H,4,7,16H2,1-2H3,(H,32,33,35,36)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

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
Show InChI InChI=1S/C28H22FN9O/c1-28(2,27-33-23-24(34-27)31-14-13-30-23)21-17-5-4-6-19(29)22(17)39-26-18(21)11-12-20(32-26)15-7-9-16(10-8-15)25-35-36-37-38(25)3/h4-14,21H,1-3H3,(H,30,31,33,34)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.94n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

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
Show InChI InChI=1S/C29H25ClFN5O2/c1-15(2)37-22-11-8-16(14-19(22)30)21-10-9-18-23(17-6-5-7-20(31)24(17)38-27(18)34-21)29(3,4)28-35-25-26(36-28)33-13-12-32-25/h5-15,23H,1-4H3,(H,32,33,35,36)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


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
Show InChI InChI=1S/C28H24FN5O3S/c1-4-38(35,36)17-10-8-16(9-11-17)21-13-12-19-22(18-6-5-7-20(29)23(18)37-26(19)32-21)28(2,3)27-33-24-25(34-27)31-15-14-30-24/h5-15,22H,4H2,1-3H3,(H,30,31,33,34)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.34n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


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
Show InChI InChI=1S/C29H26FN5O2/c1-28(2,27-34-24-25(35-27)32-15-14-31-24)22-18-6-5-7-20(30)23(18)37-26-19(22)12-13-21(33-26)16-8-10-17(11-9-16)29(3,4)36/h5-15,22,36H,1-4H3,(H,31,32,34,35)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.35n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351898
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)-c1ccc(OC(F)(F)F)cc1)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C27H19F4N5O2/c1-26(2,25-35-22-23(36-25)33-13-12-32-22)20-16-4-3-5-18(28)21(16)37-24-17(20)10-11-19(34-24)14-6-8-15(9-7-14)38-27(29,30)31/h3-13,20H,1-2H3,(H,32,33,35,36)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.36n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351889
PNG
((S)-5-(2-(3H-Imidazo[4,5-b]pyridin-2-yl)propan-2-y...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C29H25FN6O2/c1-29(2,28-34-24-25(35-28)32-15-14-31-24)22-18-6-5-7-20(30)23(18)38-26-19(22)12-13-21(33-26)16-8-10-17(11-9-16)27(37)36(3)4/h5-15,22H,1-4H3,(H,31,32,34,35)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.63n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351910
PNG
((S)-5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-2-y...)
Show SMILES CC(C)Oc1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C28H25FN6O2/c1-15(2)36-21-11-8-16(14-32-21)20-10-9-18-22(17-6-5-7-19(29)23(17)37-26(18)33-20)28(3,4)27-34-24-25(35-27)31-13-12-30-24/h5-15,22H,1-4H3,(H,30,31,34,35)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.78n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351890
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)-c1ccc(cc1)S(C)(=O)=O)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C27H22FN5O3S/c1-27(2,26-32-23-24(33-26)30-14-13-29-23)21-17-5-4-6-19(28)22(17)36-25-18(21)11-12-20(31-25)15-7-9-16(10-8-15)37(3,34)35/h4-14,21H,1-3H3,(H,29,30,32,33)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.89n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351907
PNG
((S)-4-(5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-...)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(N)cc1)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C26H21FN6O/c1-26(2,25-32-22-23(33-25)30-13-12-29-22)20-16-4-3-5-18(27)21(16)34-24-17(20)10-11-19(31-24)14-6-8-15(28)9-7-14/h3-13,20H,28H2,1-2H3,(H,29,30,32,33)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.91n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351887
PNG
((S)-2-(2-Chloro-9-fluoro-5H-chromeno[2,3-b]pyridin...)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C28H22FN5O2/c1-15(35)16-7-9-17(10-8-16)21-12-11-19-22(18-5-4-6-20(29)23(18)36-26(19)32-21)28(2,3)27-33-24-25(34-27)31-14-13-30-24/h4-14,22H,1-3H3,(H,30,31,33,34)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351906
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)-c1ccncc1)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C25H19FN6O/c1-25(2,24-31-21-22(32-24)29-13-12-28-21)19-15-4-3-5-17(26)20(15)33-23-16(19)6-7-18(30-23)14-8-10-27-11-9-14/h3-13,19H,1-2H3,(H,28,29,31,32)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.92n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351914
PNG
((S)-5-(5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-...)
Show SMILES CN(C)c1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C27H24FN7O/c1-27(2,26-33-23-24(34-26)30-13-12-29-23)21-16-6-5-7-18(28)22(16)36-25-17(21)9-10-19(32-25)15-8-11-20(31-14-15)35(3)4/h5-14,21H,1-4H3,(H,29,30,33,34)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
5.43n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351912
PNG
((S)-2-(5-(5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)prop...)
Show SMILES CC(C)(O)c1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C28H25FN6O2/c1-27(2,26-34-23-24(35-26)31-13-12-30-23)21-16-6-5-7-18(29)22(16)37-25-17(21)9-10-19(33-25)15-8-11-20(32-14-15)28(3,4)36/h5-14,21,36H,1-4H3,(H,30,31,34,35)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
9.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351901
PNG
((S)-(4-(5-(2-(9H-Purin-8-yl)propan-2-yl)-9-fluoro-...)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)c1nc2cncnc2[nH]1
Show InChI InChI=1S/C31H27FN6O3/c1-31(2,30-36-24-16-33-17-34-27(24)37-30)25-20-4-3-5-22(32)26(20)41-28-21(25)10-11-23(35-28)18-6-8-19(9-7-18)29(39)38-12-14-40-15-13-38/h3-11,16-17,25H,12-15H2,1-2H3,(H,33,34,36,37)/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
12.4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351903
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)-c1ccc(cc1)N1CCOCC1)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C30H27FN6O2/c1-30(2,29-35-26-27(36-29)33-13-12-32-26)24-20-4-3-5-22(31)25(20)39-28-21(24)10-11-23(34-28)18-6-8-19(9-7-18)37-14-16-38-17-15-37/h3-13,24H,14-17H2,1-2H3,(H,32,33,35,36)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351899
PNG
((S)-(4-(5-(2-(1H-Benzo[d]imidazol-2-yl)propan-2-yl...)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C33H29FN4O3/c1-33(2,32-36-26-8-3-4-9-27(26)37-32)28-22-6-5-7-24(34)29(22)41-30-23(28)14-15-25(35-30)20-10-12-21(13-11-20)31(39)38-16-18-40-19-17-38/h3-15,28H,16-19H2,1-2H3,(H,36,37)/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
16.1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351913
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)-c1ccc(F)nc1)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C25H18F2N6O/c1-25(2,24-32-21-22(33-24)29-11-10-28-21)19-14-4-3-5-16(26)20(14)34-23-15(19)7-8-17(31-23)13-6-9-18(27)30-12-13/h3-12,19H,1-2H3,(H,28,29,32,33)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
28.6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351915
PNG
((S)-(5-(5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan...)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCOCC1)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C30H26FN7O3/c1-30(2,29-36-25-26(37-29)33-11-10-32-25)23-18-4-3-5-20(31)24(18)41-27-19(23)7-9-21(35-27)17-6-8-22(34-16-17)28(39)38-12-14-40-15-13-38/h3-11,16,23H,12-15H2,1-2H3,(H,32,33,36,37)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
30.3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351886
PNG
((S)-2-(2-Chloro-9-fluoro-5H-chromeno[2,3-b]pyridin...)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C31H27FN6O3/c1-31(2,30-36-26-27(37-30)34-13-12-33-26)24-20-4-3-5-22(32)25(20)41-28-21(24)10-11-23(35-28)18-6-8-19(9-7-18)29(39)38-14-16-40-17-15-38/h3-13,24H,14-17H2,1-2H3,(H,33,34,36,37)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
57n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351902
PNG
((S)-5-(2-(9H-Purin-8-yl)propan-2-yl)-9-fluoro-2-(4...)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)S(C)(=O)=O)c1nc2cncnc2[nH]1
Show InChI InChI=1S/C27H22FN5O3S/c1-27(2,26-32-21-13-29-14-30-24(21)33-26)22-17-5-4-6-19(28)23(17)36-25-18(22)11-12-20(31-25)15-7-9-16(10-8-15)37(3,34)35/h4-14,22H,1-3H3,(H,29,30,32,33)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
65.8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351904
PNG
((S)-N-(4-(5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)prop...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C28H23FN6O2/c1-15(36)32-17-9-7-16(8-10-17)21-12-11-19-22(18-5-4-6-20(29)23(18)37-26(19)33-21)28(2,3)27-34-24-25(35-27)31-14-13-30-24/h4-14,22H,1-3H3,(H,32,36)(H,30,31,34,35)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
70.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351900
PNG
((S)-(4-(5-(2-(3H-Imidazo[4,5-b]pyridin-2-yl)propan...)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)c1nc2cccnc2[nH]1
Show InChI InChI=1S/C32H28FN5O3/c1-32(2,31-36-25-7-4-14-34-28(25)37-31)26-21-5-3-6-23(33)27(21)41-29-22(26)12-13-24(35-29)19-8-10-20(11-9-19)30(39)38-15-17-40-18-16-38/h3-14,26H,15-18H2,1-2H3,(H,34,36,37)/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
121n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM351911
PNG
((S)-Methyl 5-(5-(2-(1H-imidazo[4,5-b]pyrazin-2-yl)...)
Show SMILES COC(=O)c1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1
Show InChI InChI=1S/C27H21FN6O3/c1-27(2,26-33-22-23(34-26)30-12-11-29-22)20-15-5-4-6-17(28)21(15)37-24-16(20)8-10-18(32-24)14-7-9-19(31-13-14)25(35)36-3/h4-13,20H,1-3H3,(H,29,30,33,34)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
144n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...


US Patent US9796720 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%