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19 similar compounds to monomer 50250110

Compile data set for download or QSAR
Wt: 312.2
BDBM50250109
Wt: 575.6
BDBM50250117
Wt: 596.6
BDBM50250120
Wt: 312.3
BDBM50250111
Wt: 487.4
BDBM50250112
Wt: 553.4
BDBM50250113
Wt: 511.4
BDBM50250114
Wt: 495.4
BDBM50250115
Wt: 511.4
BDBM50250116
Wt: 633.6
BDBM50250118
Wt: 633.6
BDBM50250119
Wt: 606.6
BDBM50250121
Wt: 606.6
BDBM50250122
Wt: 592.6
BDBM50249991
Wt: 593.6
BDBM50249992
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50250109,50250117,50250120,50250111,50250112,50250113,50250114,50250115,50250116,50250118,50250119,50250121,50250122,50249991,50249992   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50249991
PNG
(CHEMBL4069561)
Show SMILES Fc1ccccc1C1Nc2ccccc2C(=O)N1CC1CCC(CN2C(Nc3ccccc3C2=O)c2ccccc2F)CC1
Show InChI InChI=1/C36H34F2N4O2/c37-29-13-5-1-9-25(29)33-39-31-15-7-3-11-27(31)35(43)41(33)21-23-17-19-24(20-18-23)22-42-34(26-10-2-6-14-30(26)38)40-32-16-8-4-12-28(32)36(42)44/h1-16,23-24,33-34,39-40H,17-22H2
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n/an/an/a 15n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay


J Med Chem 60: 9400-9406 (2017)

More data for this
Ligand-Target Pair
Androgen Receptor


(Rattus norvegicus (Rat))
BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of fluormone labelled AL green from rat recombinant His/GST-tagged androgen receptor LBD after 4 to 6 hrs by fluorescence polarization a...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250109
PNG
(CHEMBL4062994)
Show SMILES OC(=O)CNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H12N4O4/c20-12-6-11(9-4-2-1-3-5-9)18-14-10(7-17-19(12)14)15(23)16-8-13(21)22/h1-7,20H,8H2,(H,16,23)(H,21,22)
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n/an/an/a 6.70E+3n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cGAS (2 to 522 residues) expressed in Sf9 insect cells by surface plasmon resonance assay


PLoS ONE 12: 1-16 (2017)


Article DOI: 10.1371/journal.pone.0184843
More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250111
PNG
(CHEMBL4084664)
Show SMILES C[C@@H](CO)NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1/C16H16N4O3/c1-10(9-21)18-16(23)12-8-17-20-14(22)7-13(19-15(12)20)11-5-3-2-4-6-11/h2-8,10,21-22H,9H2,1H3,(H,18,23)/t10-/s2
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n/an/a 1.75E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc...


PLoS ONE 12: 1-16 (2017)


Article DOI: 10.1371/journal.pone.0184843
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250109
PNG
(CHEMBL4062994)
Show SMILES OC(=O)CNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H12N4O4/c20-12-6-11(9-4-2-1-3-5-9)18-14-10(7-17-19(12)14)15(23)16-8-13(21)22/h1-7,20H,8H2,(H,16,23)(H,21,22)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc...


PLoS ONE 12: 1-16 (2017)


Article DOI: 10.1371/journal.pone.0184843
More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250109
PNG
(CHEMBL4062994)
Show SMILES OC(=O)CNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C15H12N4O4/c20-12-6-11(9-4-2-1-3-5-9)18-14-10(7-17-19(12)14)15(23)16-8-13(21)22/h1-7,20H,8H2,(H,16,23)(H,21,22)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc...


PLoS ONE 12: 1-16 (2017)


Article DOI: 10.1371/journal.pone.0184843
More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250111
PNG
(CHEMBL4084664)
Show SMILES C[C@@H](CO)NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1/C16H16N4O3/c1-10(9-21)18-16(23)12-8-17-20-14(22)7-13(19-15(12)20)11-5-3-2-4-6-11/h2-8,10,21-22H,9H2,1H3,(H,18,23)/t10-/s2
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n/an/an/a 2.70E+3n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cGAS (2 to 522 residues) expressed in Sf9 insect cells by surface plasmon resonance assay


PLoS ONE 12: 1-16 (2017)


Article DOI: 10.1371/journal.pone.0184843
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50250111
PNG
(CHEMBL4084664)
Show SMILES C[C@@H](CO)NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1/C16H16N4O3/c1-10(9-21)18-16(23)12-8-17-20-14(22)7-13(19-15(12)20)11-5-3-2-4-6-11/h2-8,10,21-22H,9H2,1H3,(H,18,23)/t10-/s2
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n/an/a 8.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc...


PLoS ONE 12: 1-16 (2017)


Article DOI: 10.1371/journal.pone.0184843
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/s2
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n/an/a 0.0490n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250113
PNG
(CHEMBL4083216)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cccc(OS(O)(=O)=O)c1
Show InChI InChI=1/C24H19F4N3O6S/c1-14(30-23(32)24(26,27)28)22(15-3-2-4-20(11-15)37-38(33,34)35)36-19-9-10-21-16(12-19)13-29-31(21)18-7-5-17(25)6-8-18/h2-14,22H,1H3,(H,30,32)(H,33,34,35)/t14-,22-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250114
PNG
(CHEMBL4104286)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1
Show InChI InChI=1/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-23-24(14-17)36-12-11-35-23)37-21-8-9-22-18(13-21)15-31-33(22)20-6-4-19(28)5-7-20/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/s2
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n/an/a 0.0200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250115
PNG
(CHEMBL4086388)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2CCOc2c1
Show InChI InChI=1/C27H24F3N3O3/c1-16(32-26(34)27(2,29)30)25(18-4-3-17-11-12-35-24(17)14-18)36-22-9-10-23-19(13-22)15-31-33(23)21-7-5-20(28)6-8-21/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/s2
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n/an/a 0.0320n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250116
PNG
(CHEMBL4066614)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCOCc2c1
Show InChI InChI=1/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-24-19(11-17)14-35-15-36-24)37-22-8-9-23-18(12-22)13-31-33(23)21-6-4-20(28)5-7-21/h3-13,16,25H,14-15H2,1-2H3,(H,32,34)/t16-,25-/s2
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n/an/a 0.156n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250117
PNG
(CHEMBL4078531)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@H]1C(N)=O)c1ccccc1
Show InChI InChI=1/C31H31F2N5O4/c1-19(36-30(41)31(2,32)33)27(20-8-4-3-5-9-20)42-24-13-14-25-22(17-24)18-35-38(25)23-11-6-10-21(16-23)29(40)37-15-7-12-26(37)28(34)39/h3-6,8-11,13-14,16-19,26-27H,7,12,15H2,1-2H3,(H2,34,39)(H,36,41)/t19-,26-,27-/s2
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n/an/a 17n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250118
PNG
(CHEMBL4070346)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccc2OCCOc2c1
Show InChI InChI=1/C33H33F2N5O6/c1-19(38-32(43)33(2,34)35)29(20-8-11-27-28(17-20)45-14-13-44-27)46-24-9-10-25-22(16-24)18-37-40(25)23-6-3-5-21(15-23)31(42)39-12-4-7-26(39)30(36)41/h3,5-6,8-11,15-19,26,29H,4,7,12-14H2,1-2H3,(H2,36,41)(H,38,43)/t19-,26+,29-/s2
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n/an/a 0.120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250119
PNG
(CHEMBL4098641)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccc2COCOc2c1
Show InChI InChI=1/C33H33F2N5O6/c1-19(38-32(43)33(2,34)35)29(20-8-9-22-17-44-18-45-28(22)15-20)46-25-10-11-26-23(14-25)16-37-40(26)24-6-3-5-21(13-24)31(42)39-12-4-7-27(39)30(36)41/h3,5-6,8-11,13-16,19,27,29H,4,7,12,17-18H2,1-2H3,(H2,36,41)(H,38,43)/t19-,27+,29-/s2
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n/an/a 0.150n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250120
PNG
(CHEMBL4098197)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NC1CCS(=O)(=O)C1)c1ccccc1
Show InChI InChI=1/C30H30F2N4O5S/c1-19(34-29(38)30(2,31)32)27(20-7-4-3-5-8-20)41-25-11-12-26-22(16-25)17-33-36(26)24-10-6-9-21(15-24)28(37)35-23-13-14-42(39,40)18-23/h3-12,15-17,19,23,27H,13-14,18H2,1-2H3,(H,34,38)(H,35,37)/t19-,23?,27-/s2
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n/an/a 2.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250121
PNG
(CHEMBL4077898)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1
Show InChI InChI=1/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29+/s2
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250122
PNG
(CHEMBL4101250)
Show SMILES C[C@@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1
Show InChI InChI=1/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29+/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/s2
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n/an/a>5.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from N terminal maltose binding protein tagged human mineralocorticoid receptor LBD (726 to 984 residues) expressed ...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250115
PNG
(CHEMBL4086388)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2CCOc2c1
Show InChI InChI=1/C27H24F3N3O3/c1-16(32-26(34)27(2,29)30)25(18-4-3-17-11-12-35-24(17)14-18)36-22-9-10-23-19(13-22)15-31-33(23)21-7-5-20(28)6-8-21/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/s2
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n/an/a 0.101n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250116
PNG
(CHEMBL4066614)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCOCc2c1
Show InChI InChI=1/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-24-19(11-17)14-35-15-36-24)37-22-8-9-23-18(12-22)13-31-33(23)21-6-4-20(28)5-7-21/h3-13,16,25H,14-15H2,1-2H3,(H,32,34)/t16-,25-/s2
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n/an/a 0.322n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250119
PNG
(CHEMBL4098641)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccc2COCOc2c1
Show InChI InChI=1/C33H33F2N5O6/c1-19(38-32(43)33(2,34)35)29(20-8-9-22-17-44-18-45-28(22)15-20)46-25-10-11-26-23(14-25)16-37-40(26)24-6-3-5-21(13-24)31(42)39-12-4-7-27(39)30(36)41/h3,5-6,8-11,13-16,19,27,29H,4,7,12,17-18H2,1-2H3,(H2,36,41)(H,38,43)/t19-,27+,29-/s2
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n/an/a 0.610n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/s2
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n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of fluormone labelled GS Red from human recombinant glucocorticoid receptor after 2 hrs by fluorescence polarization assay


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(RAT)
BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/s2
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n/an/a 0.140n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/s2
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n/an/a 0.160n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250114
PNG
(CHEMBL4104286)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1
Show InChI InChI=1/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-23-24(14-17)36-12-11-35-23)37-21-8-9-22-18(13-21)15-31-33(22)20-6-4-19(28)5-7-20/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/s2
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n/an/a 0.0800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250118
PNG
(CHEMBL4070346)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccc2OCCOc2c1
Show InChI InChI=1/C33H33F2N5O6/c1-19(38-32(43)33(2,34)35)29(20-8-11-27-28(17-20)45-14-13-44-27)46-24-9-10-25-22(16-24)18-37-40(25)23-6-3-5-21(15-23)31(42)39-12-4-7-26(39)30(36)41/h3,5-6,8-11,15-19,26,29H,4,7,12-14H2,1-2H3,(H2,36,41)(H,38,43)/t19-,26+,29-/s2
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n/an/a 0.25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250120
PNG
(CHEMBL4098197)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NC1CCS(=O)(=O)C1)c1ccccc1
Show InChI InChI=1/C30H30F2N4O5S/c1-19(34-29(38)30(2,31)32)27(20-7-4-3-5-8-20)41-25-11-12-26-22(16-25)17-33-36(26)24-10-6-9-21(15-24)28(37)35-23-13-14-42(39,40)18-23/h3-12,15-17,19,23,27H,13-14,18H2,1-2H3,(H,34,38)(H,35,37)/t19-,23?,27-/s2
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2/Estrogen receptor


(Homo sapiens (Human))
BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of fluormone labelled EL Red from human recombinant estrogen receptor alpha after 1 to 5 hrs by fluorescence polarization assay


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of fluormone labelled EL Red from human recombinant estrogen receptor beta after 1 to 5 hrs by fluorescence polarization assay


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F
Show InChI InChI=1/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/s2
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n/an/a 1.76E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of fluormone labelled PL Red from human recombinant progesterone receptor after 1 to 6 hrs ligand by fluorescence polarization assay


J Med Chem 60: 8591-8605 (2017)

More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50249992
PNG
(CHEMBL4090695)
Show SMILES Fc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1CCN1CCC(CC1)N1[C@@H](Nc2ccccc2C1=O)c1ccccc1F
Show InChI InChI=1/C35H33F2N5O2/c36-28-13-5-1-9-24(28)32-38-30-15-7-3-11-26(30)34(43)41(32)22-21-40-19-17-23(18-20-40)42-33(25-10-2-6-14-29(25)37)39-31-16-8-4-12-27(31)35(42)44/h1-16,23,32-33,38-39H,17-22H2/t32-,33-/s2
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n/an/an/a 2.30n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay


J Med Chem 60: 9400-9406 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)