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Compile Data Set for Download or QSAR

Found 457 hits with Last Name = 'lopez' and Initial = 'fj'   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220746
PNG
(CHEMBL292189)
Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
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0.0398n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220747
PNG
(CHEMBL56863)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
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0.0631n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220750
PNG
(CHEMBL55695)
Show SMILES Cc1c[nH]c(=O)n(CCCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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0.158n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50160161
PNG
(5-Methyl-3-(3-{4-[2-(2,2,2-trifluoro-ethoxy)-pheny...)
Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C20H25F3N4O3/c1-15-13-24-19(29)27(18(15)28)8-4-7-25-9-11-26(12-10-25)16-5-2-3-6-17(16)30-14-20(21,22)23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,24,29)
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0.251n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220788
PNG
(CHEMBL417954)
Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(F)c3=O)CC2)c(OCC(F)(F)F)c1
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0.251n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220744
PNG
(CHEMBL55290)
Show SMILES Cc1n[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
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0.316n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214923
PNG
((Z)-5-(4-fluoro-2-(hydroxymethyl)benzylidene)-10-m...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(F)cc3CO)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:24.24,32.33,c:23,t:21,30|
Show InChI InChI=1S/C28H28FNO4/c1-15-13-28(2,3)30-20-8-7-19-25(24(15)20)23(12-16-5-6-18(29)11-17(16)14-31)34-22-10-9-21(32)27(33-4)26(19)22/h5-13,20,24,30-32H,14H2,1-4H3/b23-12-
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0.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220785
PNG
(CHEMBL293149)
Show SMILES Cc1c[nH]c(=O)n(CCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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0.501n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214929
PNG
((Z)-5-(4-fluoro-2-((methoxymethoxy)methyl)benzylid...)
Show SMILES COCOCc1cc(F)ccc1\C=C1/Oc2ccc(O)c(OC)c2C2=C1C1C(NC(C)(C)C=C1C)C=C2 |w:27.38,26.28,c:26,35,39|
Show InChI InChI=1S/C30H32FNO5/c1-17-14-30(2,3)32-22-9-8-21-27(26(17)22)25(37-24-11-10-23(33)29(35-5)28(21)24)13-18-6-7-20(31)12-19(18)15-36-16-34-4/h6-14,22,26,32-33H,15-16H2,1-5H3/b25-13-
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0.600n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220786
PNG
(CHEMBL55629)
Show SMILES Cc1c[nH]c(=O)n(CC2(CN3CCN(CC3)c3ccccc3OCC(F)(F)F)CC2)c1=O
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220782
PNG
(CHEMBL53675)
Show SMILES CCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214949
PNG
((Z)-5-(2-fluorobenzylidene)-10-methoxy-2,2,4-trime...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3F)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
Show InChI InChI=1S/C27H26FNO3/c1-15-14-27(2,3)29-19-10-9-17-24(23(15)19)22(13-16-7-5-6-8-18(16)28)32-21-12-11-20(30)26(31-4)25(17)21/h5-14,19,23,29-30H,1-4H3/b22-13-
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0.800n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214919
PNG
((Z)-(5-fluoro-2-((9-hydroxy-10-methoxy-2,2,4-trime...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(F)cc3C(=O)N3CCCCC3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:30.31,38.40,c:30,t:28,37|
Show InChI InChI=1S/C33H35FN2O4/c1-19-18-33(2,3)35-24-11-10-22-29(28(19)24)27(40-26-13-12-25(37)31(39-4)30(22)26)16-20-8-9-21(34)17-23(20)32(38)36-14-6-5-7-15-36/h8-13,16-18,24,28,35,37H,5-7,14-15H2,1-4H3/b27-16-
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0.900n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214932
PNG
((Z)-5-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methy...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cc(F)cc4COCOc34)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.36,c:26,t:24,33|
Show InChI InChI=1S/C29H28FNO5/c1-15-12-29(2,3)31-20-6-5-19-25(24(15)20)23(36-22-8-7-21(32)28(33-4)26(19)22)11-16-9-18(30)10-17-13-34-14-35-27(16)17/h5-12,20,24,31-32H,13-14H2,1-4H3/b23-11-
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0.900n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220748
PNG
(CHEMBL59153)
Show SMILES Fc1ccc(N2CCN(CCCN3C(=O)CCNC3=O)CC2)c(OCC(F)(F)F)c1
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1n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220779
PNG
(CHEMBL298838)
Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(Cl)c3=O)CC2)c(OCC(F)(F)F)c1
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1n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214942
PNG
((Z)-5-(4-hydroxybenzylidene)-10-methoxy-2,2,4-trim...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(O)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
Show InChI InChI=1S/C27H27NO4/c1-15-14-27(2,3)28-19-10-9-18-24(23(15)19)22(13-16-5-7-17(29)8-6-16)32-21-12-11-20(30)26(31-4)25(18)21/h5-14,19,23,28-30H,1-4H3/b22-13-
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1.10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220780
PNG
(CHEMBL299452)
Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)cc[nH]c3=O)CC2)c(OCC(F)(F)F)c1
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1.30n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50160152
PNG
(3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...)
Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C20H24F4N4O3/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)
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1.30n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214922
PNG
((Z)-5-(3-hydroxybenzylidene)-10-methoxy-2,2,4-trim...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(O)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
Show InChI InChI=1S/C27H27NO4/c1-15-14-27(2,3)28-19-9-8-18-24(23(15)19)22(13-16-6-5-7-17(29)12-16)32-21-11-10-20(30)26(31-4)25(18)21/h5-14,19,23,28-30H,1-4H3/b22-13-
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1.40n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214928
PNG
((Z)-(2-((9-hydroxy-10-methoxy-2,2,4-trimethyl-1,2-...)
Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3C(=O)N3CCCCC3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:36.37,28.29,c:28,t:26,35|
Show InChI InChI=1S/C31H34N2O4S/c1-18-17-31(2,3)32-21-9-8-20-27(26(18)21)24(37-23-11-10-22(34)29(36-4)28(20)23)16-25-19(12-15-38-25)30(35)33-13-6-5-7-14-33/h8-12,15-17,21,26,32,34H,5-7,13-14H2,1-4H3/b24-16-
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1.40n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214921
PNG
((Z)-5-(3-(pyridin-3-yl)benzylidene)-10-methoxy-2,2...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(c3)-c3cccnc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:27.28,35.37,c:27,t:25,34|
Show InChI InChI=1S/C32H30N2O3/c1-19-17-32(2,3)34-24-11-10-23-29(28(19)24)27(37-26-13-12-25(35)31(36-4)30(23)26)16-20-7-5-8-21(15-20)22-9-6-14-33-18-22/h5-18,24,28,34-35H,1-4H3/b27-16-
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1.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214935
PNG
(5-fluoro-2-((Z)-(9-hydroxy-10-methoxy-2,2,4-trimet...)
Show SMILES COc1c(O)ccc2OC(=Cc3ccc(F)cc3CN=O)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:25.25,33.34,10.10,c:24,t:22,31|
Show InChI InChI=1S/C28H27FN2O4/c1-15-13-28(2,3)31-20-8-7-19-25(24(15)20)23(12-16-5-6-18(29)11-17(16)14-30-33)35-22-10-9-21(32)27(34-4)26(19)22/h5-13,20,24,31-32H,14H2,1-4H3
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1.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220773
PNG
(CHEMBL56489)
Show SMILES Cc1cc(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c(=O)[nH]1
Show InChI InChI=1S/C20H24F4N4O3/c1-14-11-18(29)28(19(30)25-14)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)12-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)
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1.60n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220787
PNG
(CHEMBL418112)
Show SMILES COc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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1.60n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214933
PNG
((Z)-10-methoxy-2,2,4-trimethyl-5-((6-methylpyridin...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)n3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.23,30.30,c:21,t:19,28|
Show InChI InChI=1S/C27H28N2O3/c1-15-14-27(3,4)29-19-10-9-18-24(23(15)19)22(13-17-8-6-7-16(2)28-17)32-21-12-11-20(30)26(31-5)25(18)21/h6-14,19,23,29-30H,1-5H3/b22-13-
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214927
PNG
((Z)-5-(4-chlorobenzylidene)-10-methoxy-2,2,4-trime...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(Cl)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
Show InChI InChI=1S/C27H26ClNO3/c1-15-14-27(2,3)29-19-10-9-18-24(23(15)19)22(13-16-5-7-17(28)8-6-16)32-21-12-11-20(30)26(31-4)25(18)21/h5-14,19,23,29-30H,1-4H3/b22-13-
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1.70n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214943
PNG
(10-methoxy-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-y...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
Show InChI InChI=1S/C28H29NO3/c1-16-8-6-7-9-18(16)14-23-25-19(26-22(32-23)13-12-21(30)27(26)31-5)10-11-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14-
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1.70n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214937
PNG
((Z)-5-(4-ethylbenzylidene)-10-methoxy-2,2,4-trimet...)
Show SMILES CCc1ccc(\C=C2/Oc3ccc(O)c(OC)c3C3=C2C2C(NC(C)(C)C=C2C)C=C3)cc1 |w:21.31,20.21,c:19,28,32|
Show InChI InChI=1S/C29H31NO3/c1-6-18-7-9-19(10-8-18)15-24-26-20(27-23(33-24)14-13-22(31)28(27)32-5)11-12-21-25(26)17(2)16-29(3,4)30-21/h7-16,21,25,30-31H,6H2,1-5H3/b24-15-
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214945
PNG
(10-methoxy-2,2,4-trimethyl-5-[1-p-tolyl-meth-(Z)-y...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(C)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
Show InChI InChI=1S/C28H29NO3/c1-16-6-8-18(9-7-16)14-23-25-19(26-22(32-23)13-12-21(30)27(26)31-5)10-11-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14-
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1.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220747
PNG
(CHEMBL56863)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
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2n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220749
PNG
(CHEMBL292403)
Show SMILES Cc1cn(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)[nH]c1=O
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Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214947
PNG
((Z)-5-fluoro-2-((9-hydroxy-10-methoxy-2,2,4-trimet...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(F)cc3C(=O)N(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:27.27,35.36,c:26,t:24,33|
Show InChI InChI=1S/C30H31FN2O4/c1-16-15-30(2,3)32-21-10-9-19-26(25(16)21)24(37-23-12-11-22(34)28(36-6)27(19)23)13-17-7-8-18(31)14-20(17)29(35)33(4)5/h7-15,21,25,32,34H,1-6H3/b24-13-
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220742
PNG
(CHEMBL57740)
Show SMILES CC(C)c1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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2.5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214944
PNG
(10-methoxy-2,2,4-trimethyl-5-[1-m-tolyl-meth-(Z)-y...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
Show InChI InChI=1S/C28H29NO3/c1-16-7-6-8-18(13-16)14-23-25-19(26-22(32-23)12-11-21(30)27(26)31-5)9-10-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14-
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220785
PNG
(CHEMBL293149)
Show SMILES Cc1c[nH]c(=O)n(CCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
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Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214946
PNG
((Z)-5-(2-methyl-3-(trifluoromethyl)benzylidene)-10...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(c3C)C(F)(F)F)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.26,34.35,c:25,t:23,32|
Show InChI InChI=1S/C29H28F3NO3/c1-15-14-28(3,4)33-20-10-9-18-25(24(15)20)23(36-22-12-11-21(34)27(35-5)26(18)22)13-17-7-6-8-19(16(17)2)29(30,31)32/h6-14,20,24,33-34H,1-5H3/b23-13-
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214938
PNG
((Z)-5-(4-methoxybenzylidene)-10-methoxy-2,2,4-trim...)
Show SMILES COc1ccc(\C=C2/Oc3ccc(O)c(OC)c3C3=C2C2C(NC(C)(C)C=C2C)C=C3)cc1 |w:21.31,20.21,c:19,28,32|
Show InChI InChI=1S/C28H29NO4/c1-16-15-28(2,3)29-20-11-10-19-25(24(16)20)23(14-17-6-8-18(31-4)9-7-17)33-22-13-12-21(30)27(32-5)26(19)22/h6-15,20,24,29-30H,1-5H3/b23-14-
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2.70n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214936
PNG
((Z)-5-(3-(trifluoromethyl)benzylidene)-10-methoxy-...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(c3)C(F)(F)F)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:25.25,33.34,c:24,t:22,31|
Show InChI InChI=1S/C28H26F3NO3/c1-15-14-27(2,3)32-19-9-8-18-24(23(15)19)22(13-16-6-5-7-17(12-16)28(29,30)31)35-21-11-10-20(33)26(34-4)25(18)21/h5-14,19,23,32-33H,1-4H3/b22-13-
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214948
PNG
((Z)-5-(4-isopropylbenzylidene)-10-methoxy-2,2,4-tr...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(cc3)C(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:24.24,32.33,c:23,t:21,30|
Show InChI InChI=1S/C30H33NO3/c1-17(2)20-9-7-19(8-10-20)15-25-27-21(28-24(34-25)14-13-23(32)29(28)33-6)11-12-22-26(27)18(3)16-30(4,5)31-22/h7-17,22,26,31-32H,1-6H3/b25-15-
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214934
PNG
((Z)-5-(2-((diethylamino)methyl)-4-fluorobenzyliden...)
Show SMILES CCN(CC)Cc1cc(F)ccc1\C=C1/Oc2ccc(O)c(OC)c2C2=C1C1C(NC(C)(C)C=C1C)C=C2 |w:28.39,27.29,c:27,36,40|
Show InChI InChI=1S/C32H37FN2O3/c1-7-35(8-2)18-21-15-22(33)10-9-20(21)16-27-29-23(30-26(38-27)14-13-25(36)31(30)37-6)11-12-24-28(29)19(3)17-32(4,5)34-24/h9-17,24,28,34,36H,7-8,18H2,1-6H3/b27-16-
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214920
PNG
((Z)-5-(3-(thiophen-3-yl)benzylidene)-10-methoxy-2,...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(c3)-c3ccsc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.36,c:26,t:24,33|
Show InChI InChI=1S/C31H29NO3S/c1-18-16-31(2,3)32-23-9-8-22-28(27(18)23)26(35-25-11-10-24(33)30(34-4)29(22)25)15-19-6-5-7-20(14-19)21-12-13-36-17-21/h5-17,23,27,32-33H,1-4H3/b26-15-
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Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214926
PNG
((Z)-2-((9-hydroxy-10-methoxy-2,2,4-trimethyl-1,2-d...)
Show SMILES COc1c(O)ccc2O\C(=C/c3oc(C)cc3C(=O)N(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.34,c:25,t:23,32|
Show InChI InChI=1S/C29H32N2O5/c1-15-14-29(3,4)30-19-9-8-17-25(24(15)19)23(36-21-11-10-20(32)27(34-7)26(17)21)13-22-18(12-16(2)35-22)28(33)31(5)6/h8-14,19,24,30,32H,1-7H3/b23-13-
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3.40n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220784
PNG
(CHEMBL417758)
Show SMILES Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
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4n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214940
PNG
((Z)-5-(3-(trifluoromethoxy)benzylidene)-10-methoxy...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(OC(F)(F)F)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.26,34.35,c:25,t:23,32|
Show InChI InChI=1S/C28H26F3NO4/c1-15-14-27(2,3)32-19-9-8-18-24(23(15)19)22(35-21-11-10-20(33)26(34-4)25(18)21)13-16-6-5-7-17(12-16)36-28(29,30)31/h5-14,19,23,32-33H,1-4H3/b22-13-
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4.10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214924
PNG
((Z)-5-(4-(trifluoromethoxy)benzylidene)-10-methoxy...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(OC(F)(F)F)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.26,34.35,c:25,t:23,32|
Show InChI InChI=1S/C28H26F3NO4/c1-15-14-27(2,3)32-19-10-9-18-24(23(15)19)22(35-21-12-11-20(33)26(34-4)25(18)21)13-16-5-7-17(8-6-16)36-28(29,30)31/h5-14,19,23,32-33H,1-4H3/b22-13-
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4.30n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214930
PNG
(5-[1-biphenyl-4-yl-meth-(Z)-ylidene]-10-methoxy-2,...)
Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(cc3)-c3ccccc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:27.28,35.37,c:27,t:25,34|
Show InChI InChI=1S/C33H31NO3/c1-20-19-33(2,3)34-25-15-14-24-30(29(20)25)28(37-27-17-16-26(35)32(36-4)31(24)27)18-21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-19,25,29,34-35H,1-4H3/b28-18-
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4.40n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50214931
PNG
((Z)-5-(3-phenoxybenzylidene)-10-methoxy-2,2,4-trim...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(Oc4ccccc4)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:28.29,36.38,c:28,t:26,35|
Show InChI InChI=1S/C33H31NO4/c1-20-19-33(2,3)34-25-14-13-24-30(29(20)25)28(38-27-16-15-26(35)32(36-4)31(24)27)18-21-9-8-12-23(17-21)37-22-10-6-5-7-11-22/h5-19,25,29,34-35H,1-4H3/b28-18-
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4.60n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 17: 4158-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.062
BindingDB Entry DOI: 10.7270/Q2DF6QXW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220743
PNG
(CHEMBL56375)
Show SMILES [H][C@@]1(O)NC(=O)N(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)C(=O)[C@]1(C)O
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5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50220747
PNG
(CHEMBL56863)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
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5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1873-8 (2003)


BindingDB Entry DOI: 10.7270/Q2S46V50
More data for this
Ligand-Target Pair
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