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Compile Data Set for Download or QSAR

Found 788 hits with Last Name = 'clark' and Initial = 'rd'   
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50417287
PNG
(Aloxi | Aurothioglucose | PALONOSETRON | PALONOSET...)
Show SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |wU:4.14,wD:14.16,(.24,-11.26,;.24,-12.8,;1.58,-13.56,;1.58,-15.1,;.24,-15.88,;.24,-17.42,;-1.09,-18.19,;-2.42,-17.42,;-2.42,-15.88,;-3.77,-15.1,;-3.77,-13.56,;-2.43,-12.78,;-1.09,-13.56,;-1.09,-15.1,;2.91,-12.8,;2.91,-11.26,;4.25,-10.49,;5.58,-11.26,;5.58,-12.8,;4.25,-13.56,;4.79,-12.41,;3.77,-11.79,)|
Show InChI InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000523
PNG
(CHEMBL544784)
Show SMILES Cl.O=c1n(cc2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wU:15.16,(5.24,-.81,;-3.74,.62,;-2.67,,;-2.67,-1.54,;-1.33,-2.33,;,-1.54,;1.33,-2.33,;2.67,-1.54,;2.67,,;1.33,.77,;1.33,2.31,;,3.1,;-1.33,2.31,;-1.33,.77,;;-4.01,-2.31,;-5.39,-1.47,;-6.79,-2.26,;-5.82,-3.45,;-4.71,-2.85,;-3.99,-3.93,;-5.4,-4.72,;-6.81,-3.88,)|
Show InChI InChI=1S/C19H22N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,11,13,17H,1,3,5,7-10,12H2;1H/t17-;/m1./s1
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0.160n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000453
PNG
(CHEMBL540055)
Show SMILES Cl.COc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O |r,wU:12.11,(5.25,.07,;2.41,-3.7,;1.34,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,;-1.33,1.54,;-1.33,2.77,)|
Show InChI InChI=1S/C17H20N2O2.ClH/c1-21-16-4-2-3-14-13(16)7-10-19(17(14)20)15-11-18-8-5-12(15)6-9-18;/h2-4,7,10,12,15H,5-6,8-9,11H2,1H3;1H/t15-;/m1./s1
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0.160n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000471
PNG
(CHEMBL542900)
Show SMILES Cl.CCc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O |r,wU:12.11,(5.25,.07,;2.41,-3.7,;1.34,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,;-1.33,1.54,;-1.33,2.77,)|
Show InChI InChI=1S/C18H22N2O.ClH/c1-2-13-4-3-5-16-15(13)8-11-20(18(16)21)17-12-19-9-6-14(17)7-10-19;/h3-5,8,11,14,17H,2,6-7,9-10,12H2,1H3;1H/t17-;/m1./s1
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0.200n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000457
PNG
(CHEMBL542904)
Show SMILES Cl.CCc1cccc2C(=O)N(CCc12)C1CN2CCC1CC2 |(5.25,.07,;2.41,-3.7,;1.34,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,2.77,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,)|
Show InChI InChI=1S/C18H24N2O.ClH/c1-2-13-4-3-5-16-15(13)8-11-20(18(16)21)17-12-19-9-6-14(17)7-10-19;/h3-5,14,17H,2,6-12H2,1H3;1H
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0.200n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000450
PNG
(CHEMBL542669)
Show SMILES Cl.COc1cccc2C(=O)N(CCc12)C1CN2CCC1CC2 |(5.25,.07,;2.41,-3.7,;1.34,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,2.77,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,)|
Show InChI InChI=1S/C17H22N2O2.ClH/c1-21-16-4-2-3-14-13(16)7-10-19(17(14)20)15-11-18-8-5-12(15)6-9-18;/h2-4,12,15H,5-11H2,1H3;1H
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0.200n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372966
PNG
(CHEMBL270668)
Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 |c:12|
Show InChI InChI=1S/C27H30FN3O4S/c1-20-3-9-25(10-4-20)36(32,33)30-12-11-22-15-26-21(16-27(22,18-30)19-35-14-13-34-2)17-29-31(26)24-7-5-23(28)6-8-24/h3-10,15,17H,11-14,16,18-19H2,1-2H3/t27-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM82505
PNG
(CAS_121881 | NSC_121881 | SB204070)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00039-7
BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000475
PNG
(CHEMBL555068)
Show SMILES Cl.Cc1cccc2C(=O)N(CCc12)[C@@H]1CN2CCC1CC2 |r,wU:13.13,(5.24,.45,;1.33,-2.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,2.77,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,)|
Show InChI InChI=1S/C17H22N2O.ClH/c1-12-3-2-4-15-14(12)7-10-19(17(15)20)16-11-18-8-5-13(16)6-9-18;/h2-4,13,16H,5-11H2,1H3;1H/t16-;/m1./s1
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0.320n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000460
PNG
(CHEMBL540057)
Show SMILES Cl.[H][C@]12CCCc3cccc(C(=O)N(C1)C1CN4CCC1CC4)c23 |r,wD:2.0,(5.24,-.81,;,-2.57,;,-1.54,;1.33,-2.33,;2.67,-1.54,;2.67,,;1.33,.77,;1.33,2.31,;,3.1,;-1.33,2.31,;-1.33,.77,;-2.67,,;-3.74,.62,;-2.67,-1.54,;-1.33,-2.33,;-4.01,-2.31,;-5.39,-1.47,;-6.79,-2.26,;-5.82,-3.45,;-4.71,-2.85,;-3.99,-3.93,;-5.4,-4.72,;-6.81,-3.88,;)|
Show InChI InChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17?;/m0./s1
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0.320n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50228318
PNG
(CHEMBL279807)
Show SMILES [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O
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0.355n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 32: 2034-6 (1989)


BindingDB Entry DOI: 10.7270/Q2WH2S78
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50228318
PNG
(CHEMBL279807)
Show SMILES [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O
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0.355n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 34: 705-17 (1991)


BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM82505
PNG
(CAS_121881 | NSC_121881 | SB204070)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Neuropharmacology 36: 671-9 (1997)


Article DOI: 10.1016/s0028-3908(97)00039-7
BindingDB Entry DOI: 10.7270/Q2RN36D0
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000455
PNG
(CHEMBL2093898)
Show SMILES Cl.Cn1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |r,wD:8.6,(8.85,2.41,;2.14,-2.4,;1.76,-1.23,;2.65,.02,;1.76,1.23,;2.24,2.69,;1.42,3.61,;3.74,3.01,;4.22,4.47,;3.12,5.65,;3.61,7.18,;4.97,6.47,;4.61,5.26,;5.81,4.78,;6.29,6.32,;5.19,7.52,;.3,.77,;-1.03,1.55,;-2.37,.77,;-2.37,-.77,;-1.03,-1.55,;.3,-.77,)|
Show InChI InChI=1S/C17H21N3O.ClH/c1-19-10-14(13-4-2-3-5-16(13)19)17(21)18-15-11-20-8-6-12(15)7-9-20;/h2-5,10,12,15H,6-9,11H2,1H3,(H,18,21);1H/t15-;/m1./s1
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0.400n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000469
PNG
(CHEMBL542903)
Show SMILES Cl.O=c1n(cc2CCCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:16.17,(10.72,2.93,;3,5.97,;2.65,4.82,;3.7,3.7,;3.24,2.21,;1.74,1.87,;1.52,.37,;.18,-.4,;-.81,,;-1.5,1.28,;-.79,2.68,;-1.84,3.81,;-1.39,5.27,;.1,5.61,;1.15,4.48,;.69,3,;5.16,4.04,;5.59,5.56,;7.12,5.92,;7.21,4.43,;6.03,4.11,;6.23,2.87,;7.76,3.25,;8.21,4.78,)|
Show InChI InChI=1S/C20H24N2O.ClH/c23-20-17-7-3-6-15-4-1-2-5-16(19(15)17)12-22(20)18-13-21-10-8-14(18)9-11-21;/h3,6-7,12,14,18H,1-2,4-5,8-11,13H2;1H/t18-;/m1./s1
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0.400n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229080
PNG
(CHEMBL349665)
Show SMILES [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)c1ccc(OC)cc1
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0.457n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 34: 705-17 (1991)


BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372975
PNG
(CHEMBL270667)
Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C26H28FN3O4S/c1-33-13-14-34-19-26-16-20-17-28-30(23-9-7-22(27)8-10-23)25(20)15-21(26)11-12-29(18-26)35(31,32)24-5-3-2-4-6-24/h2-10,15,17H,11-14,16,18-19H2,1H3/t26-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372977
PNG
(CHEMBL255369)
Show SMILES COC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 |c:9|
Show InChI InChI=1S/C25H26FN3O3S/c1-18-3-9-23(10-4-18)33(30,31)28-12-11-20-13-24-19(14-25(20,16-28)17-32-2)15-27-29(24)22-7-5-21(26)6-8-22/h3-10,13,15H,11-12,14,16-17H2,1-2H3/t25-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50113780
PNG
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372974
PNG
(CHEMBL270575)
Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:12|
Show InChI InChI=1S/C30H36FN3O4S/c1-29(2,3)23-5-11-27(12-6-23)39(35,36)33-14-13-24-17-28-22(18-30(24,20-33)21-38-16-15-37-4)19-32-34(28)26-9-7-25(31)8-10-26/h5-12,17,19H,13-16,18,20-21H2,1-4H3/t30-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at GR in SW1353/MMTV5 cells assessed as inhibition of dexamethasone-induced luciferase expression


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372965
PNG
(CHEMBL442803)
Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 |c:12|
Show InChI InChI=1S/C26H27F2N3O4S/c1-34-12-13-35-18-26-15-19-16-29-31(23-6-2-21(27)3-7-23)25(19)14-20(26)10-11-30(17-26)36(32,33)24-8-4-22(28)5-9-24/h2-9,14,16H,10-13,15,17-18H2,1H3/t26-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372937
PNG
(CHEMBL257461)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@]3(CN4CCOCC4)CN(CCC3=Cc12)S(=O)(=O)c1ccccc1 |c:27|
Show InChI InChI=1S/C27H29FN4O3S/c28-23-6-8-24(9-7-23)32-26-16-22-10-11-31(36(33,34)25-4-2-1-3-5-25)20-27(22,17-21(26)18-29-32)19-30-12-14-35-15-13-30/h1-9,16,18H,10-15,17,19-20H2/t27-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229162
PNG
(CHEMBL349747)
Show SMILES [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(=O)(=O)CCOC
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0.603n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 34: 705-17 (1991)


BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.603n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 855-61 (1983)


BindingDB Entry DOI: 10.7270/Q2TH8PW6
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000445
PNG
(CHEMBL555038)
Show SMILES Cl.Cc1cccc2c1ccn(C1CN3CCC1CC3)c2=O |(5.24,.45,;1.33,-2.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,;-1.33,1.54,;-1.33,2.77,)|
Show InChI InChI=1S/C17H20N2O.ClH/c1-12-3-2-4-15-14(12)7-10-19(17(15)20)16-11-18-8-5-13(16)6-9-18;/h2-4,7,10,13,16H,5-6,8-9,11H2,1H3;1H
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0.630n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000462
PNG
(CHEMBL545719)
Show SMILES Cl.O=c1n(cc2CCc3cccc1c23)C1CN2CCC1CC2 |(5.29,-.99,;-1.31,-3.3,;-1.32,-2.04,;-2.66,-1.28,;-2.66,.25,;-1.32,1.01,;-1.01,2.56,;.94,2.54,;1.34,1.01,;2.67,.25,;2.67,-1.28,;1.34,-2.04,;,-1.28,;,.25,;-4.01,-2.07,;-3.97,-3.71,;-5.39,-4.55,;-5.94,-3.08,;-4.85,-2.41,;-5.43,-1.23,;-6.85,-2.08,;-6.82,-3.74,)|
Show InChI InChI=1S/C18H20N2O.ClH/c21-18-15-3-1-2-13-4-5-14(17(13)15)10-20(18)16-11-19-8-6-12(16)7-9-19;/h1-3,10,12,16H,4-9,11H2;1H
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0.630n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229147
PNG
(CHEMBL348793)
Show SMILES [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc4OCOc4cc13)C2)S(C)(=O)=O
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0.646n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 34: 705-17 (1991)


BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229179
PNG
(DELEQUAMINE | Delequamine)
Show SMILES [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O
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0.661n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 34: 705-17 (1991)


BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229143
PNG
(CHEMBL162971)
Show SMILES [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc4OCOc4cc13)C2)S(C)(=O)=O
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0.661n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 34: 705-17 (1991)


BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50228316
PNG
(CHEMBL62912)
Show SMILES COc1ccc2C3CC4C(CCCN4S(C)(=O)=O)CN3CCc2c1
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0.661n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 32: 2034-6 (1989)


BindingDB Entry DOI: 10.7270/Q2WH2S78
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372974
PNG
(CHEMBL270575)
Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:12|
Show InChI InChI=1S/C30H36FN3O4S/c1-29(2,3)23-5-11-27(12-6-23)39(35,36)33-14-13-24-17-28-22(18-30(24,20-33)21-38-16-15-37-4)19-32-34(28)26-9-7-25(31)8-10-26/h5-12,17,19H,13-16,18,20-21H2,1-4H3/t30-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229152
PNG
(CHEMBL349004)
Show SMILES [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(C)ccc13)C2)S(C)(=O)=O
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0.708n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 34: 705-17 (1991)


BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM82273
PNG
(CAS_167710-87-4 | RS 39604)
Show SMILES COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1
Show InChI InChI=1S/C26H36ClN3O6S/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33/h12-16,18,29H,4-11,17,28H2,1-3H3
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0.790n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1087-95 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb15922.x
BindingDB Entry DOI: 10.7270/Q2707ZX4
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50449636
PNG
(BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...)
Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1nn(C)c3ccccc13)N2C |r,TLB:24:23:8.9.7:2.4.3|
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13-,14+
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0.790n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000446
PNG
(CHEMBL88565)
Show SMILES CN1C2CCC1CC(C2)n1cc2CCCc3cccc(c23)c1=O |THB:9:7:1:3.4|
Show InChI InChI=1S/C20H24N2O/c1-21-15-8-9-16(21)11-17(10-15)22-12-14-6-2-4-13-5-3-7-18(19(13)14)20(22)23/h3,5,7,12,15-17H,2,4,6,8-11H2,1H3
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0.790n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372945
PNG
(CHEMBL404183)
Show SMILES COCCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:13|
Show InChI InChI=1S/C31H38FN3O4S/c1-30(2,3)24-6-12-28(13-7-24)40(36,37)34-15-14-25-18-29-23(19-31(25,21-34)22-39-17-5-16-38-4)20-33-35(29)27-10-8-26(32)9-11-27/h6-13,18,20H,5,14-17,19,21-22H2,1-4H3/t31-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372931
PNG
(CHEMBL409835)
Show SMILES Fc1ccc(cc1)-n1ncc2C[C@]3(CN4CCCCC4)CN(CCC3=Cc12)S(=O)(=O)c1ccccc1 |c:27|
Show InChI InChI=1S/C28H31FN4O2S/c29-24-9-11-25(12-10-24)33-27-17-23-13-16-32(36(34,35)26-7-3-1-4-8-26)21-28(23,18-22(27)19-30-33)20-31-14-5-2-6-15-31/h1,3-4,7-12,17,19H,2,5-6,13-16,18,20-21H2/t28-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372964
PNG
(CHEMBL270568)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(COCCO)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C29H34FN3O4S/c1-28(2,3)22-4-10-26(11-5-22)38(35,36)32-13-12-23-16-27-21(17-29(23,19-32)20-37-15-14-34)18-31-33(27)25-8-6-24(30)7-9-25/h4-11,16,18,34H,12-15,17,19-20H2,1-3H3/t29-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372976
PNG
(CHEMBL271221)
Show SMILES CCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:10|
Show InChI InChI=1S/C29H34FN3O3S/c1-5-36-20-29-17-21-18-31-33(25-10-8-24(30)9-11-25)27(21)16-23(29)14-15-32(19-29)37(34,35)26-12-6-22(7-13-26)28(2,3)4/h6-13,16,18H,5,14-15,17,19-20H2,1-4H3/t29-/m1/s1
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Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372969
PNG
(CHEMBL271428)
Show SMILES COC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |c:9|
Show InChI InChI=1S/C25H23F4N3O3S/c1-35-16-24-13-17-14-30-32(21-6-4-20(26)5-7-21)23(17)12-19(24)10-11-31(15-24)36(33,34)22-8-2-18(3-9-22)25(27,28)29/h2-9,12,14H,10-11,13,15-16H2,1H3/t24-/m1/s1
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Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372970
PNG
(CHEMBL402893)
Show SMILES COC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:9|
Show InChI InChI=1S/C28H32FN3O3S/c1-27(2,3)21-5-11-25(12-6-21)36(33,34)31-14-13-22-15-26-20(16-28(22,18-31)19-35-4)17-30-32(26)24-9-7-23(29)8-10-24/h5-12,15,17H,13-14,16,18-19H2,1-4H3/t28-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372926
PNG
(CHEMBL411852)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(COCCC#N)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C30H33FN4O3S/c1-29(2,3)23-5-11-27(12-6-23)39(36,37)34-15-13-24-17-28-22(18-30(24,20-34)21-38-16-4-14-32)19-33-35(28)26-9-7-25(31)8-10-26/h5-12,17,19H,4,13,15-16,18,20-21H2,1-3H3/t30-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.820n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor in SW1353 cells by whole-cell binding assay


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372918
PNG
(CHEMBL401864)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(CNCC=C)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C30H35FN4O2S/c1-5-15-32-20-30-18-22-19-33-35(26-10-8-25(31)9-11-26)28(22)17-24(30)14-16-34(21-30)38(36,37)27-12-6-23(7-13-27)29(2,3)4/h5-13,17,19,32H,1,14-16,18,20-21H2,2-4H3/t30-/m0/s1
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Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372967
PNG
(CHEMBL270879)
Show SMILES CCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |c:11|
Show InChI InChI=1S/C27H27F4N3O3S/c1-2-13-37-18-26-15-19-16-32-34(23-7-5-22(28)6-8-23)25(19)14-21(26)11-12-33(17-26)38(35,36)24-9-3-20(4-10-24)27(29,30)31/h3-10,14,16H,2,11-13,15,17-18H2,1H3/t26-/m1/s1
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Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372968
PNG
(CHEMBL271220)
Show SMILES CCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |c:10|
Show InChI InChI=1S/C26H25F4N3O3S/c1-2-36-17-25-14-18-15-31-33(22-7-5-21(27)6-8-22)24(18)13-20(25)11-12-32(16-25)37(34,35)23-9-3-19(4-10-23)26(28,29)30/h3-10,13,15H,2,11-12,14,16-17H2,1H3/t25-/m1/s1
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Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372929
PNG
(CHEMBL270838)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(CN2CCOCC2)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C31H37FN4O3S/c1-30(2,3)24-4-10-28(11-5-24)40(37,38)35-13-12-25-18-29-23(20-33-36(29)27-8-6-26(32)7-9-27)19-31(25,22-35)21-34-14-16-39-17-15-34/h4-11,18,20H,12-17,19,21-22H2,1-3H3/t31-/m0/s1
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Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
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