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Compile Data Set for Download or QSAR

Found 170 hits with Last Name = 'fazzolari' and Initial = 'e'   
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
Transporter


(Rattus norvegicus (rat))
BDBM50308250
PNG
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)
Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1
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0.135n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]nisoxetine from rat hippocampus NET by filtration binding assay


J Med Chem 53: 2534-51 (2010)


Article DOI: 10.1021/jm901818u
BindingDB Entry DOI: 10.7270/Q2ST7PX2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(MOUSE)
BDBM50308250
PNG
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)
Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1
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0.851n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from mouse cortex SERT by filtration binding assay


J Med Chem 53: 2534-51 (2010)


Article DOI: 10.1021/jm901818u
BindingDB Entry DOI: 10.7270/Q2ST7PX2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(MOUSE)
BDBM50322698
PNG
(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from SERT in mouse cortex after 2 hrs by liquid scintillation counting


J Med Chem 53: 4989-5001 (2010)


Article DOI: 10.1021/jm100481d
BindingDB Entry DOI: 10.7270/Q20V8DR3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(MOUSE)
BDBM50322698
PNG
(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in mouse brain


J Med Chem 53: 4989-5001 (2010)


Article DOI: 10.1021/jm100481d
BindingDB Entry DOI: 10.7270/Q20V8DR3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50322698
PNG
(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat hippocampus after 2 hrs by liquid scintillation counting


J Med Chem 53: 4989-5001 (2010)


Article DOI: 10.1021/jm100481d
BindingDB Entry DOI: 10.7270/Q20V8DR3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(MOUSE)
BDBM50322698
PNG
(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in mouse brain


J Med Chem 53: 4989-5001 (2010)


Article DOI: 10.1021/jm100481d
BindingDB Entry DOI: 10.7270/Q20V8DR3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50308250
PNG
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)
Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


J Med Chem 53: 2534-51 (2010)


Article DOI: 10.1021/jm901818u
BindingDB Entry DOI: 10.7270/Q2ST7PX2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50308250
PNG
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)
Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1
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1.26E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
from Dfrom ifrom sfrom pfrom lfrom afrom cfrom efrom mfrom efrom nfrom tfrom from ofrom ffrom from [from 3from Hfrom ]from dfrom ofrom ffrom efrom tf...


J Med Chem 53: 2534-51 (2010)


Article DOI: 10.1021/jm901818u
BindingDB Entry DOI: 10.7270/Q2ST7PX2
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413195
PNG
(CHEMBL458968)
Show SMILES FC(F)(F)c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H13F6N5S/c22-20(23,24)12-1-2-17(14(11-12)21(25,26)27)31-8-4-13-16(3-6-28-18(13)31)32-9-5-15(30-32)19-29-7-10-33-19/h1-3,5-7,9-11H,4,8H2
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n/an/a 27.5n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50116105
PNG
(3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)|
Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3
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n/an/a 28.2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412811
PNG
(CHEMBL458810)
Show SMILES Cc1cc(c2CCN(c2n1)c1ccc(cc1C(F)(F)F)C#N)-n1ccc(n1)N1CCNC1=O
Show InChI InChI=1S/C22H18F3N7O/c1-13-10-18(32-8-5-19(29-32)31-9-6-27-21(31)33)15-4-7-30(20(15)28-13)17-3-2-14(12-26)11-16(17)22(23,24)25/h2-3,5,8,10-11H,4,6-7,9H2,1H3,(H,27,33)
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n/an/a 32.4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413218
PNG
(CHEMBL516175)
Show SMILES COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)C(F)F
Show InChI InChI=1S/C21H17F2N5OS/c1-29-13-2-3-17(15(12-13)19(22)23)27-9-5-14-18(4-7-24-20(14)27)28-10-6-16(26-28)21-25-8-11-30-21/h2-4,6-8,10-12,19H,5,9H2,1H3
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n/an/a 34.7n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413223
PNG
(CHEMBL515843)
Show SMILES COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(n1)C(F)(F)F
Show InChI InChI=1S/C20H15F3N6OS/c1-30-16-3-2-15(17(26-16)20(21,22)23)28-9-5-12-14(4-7-24-18(12)28)29-10-6-13(27-29)19-25-8-11-31-19/h2-4,6-8,10-11H,5,9H2,1H3
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084875
PNG
(8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl...)
Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(-3.04,-6.69,;-3.03,-8.23,;-4.37,-9,;-4.37,-10.54,;-3.03,-11.31,;-1.7,-10.54,;-1.7,-9.01,;-5.7,-11.31,;-5.7,-12.85,;-7.03,-13.63,;-7.03,-15.17,;-8.36,-15.94,;-5.7,-15.93,;-4.37,-15.17,;-2.91,-15.64,;-2,-14.4,;-.46,-14.4,;-2.91,-13.15,;-4.37,-13.63,;-2.18,-17.01,;-3.01,-18.3,;-2.29,-19.67,;-.75,-19.73,;-.03,-21.08,;.06,-18.41,;-.65,-17.05,;.16,-15.75,)|
Show InChI InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084875
PNG
(8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl...)
Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(-3.04,-6.69,;-3.03,-8.23,;-4.37,-9,;-4.37,-10.54,;-3.03,-11.31,;-1.7,-10.54,;-1.7,-9.01,;-5.7,-11.31,;-5.7,-12.85,;-7.03,-13.63,;-7.03,-15.17,;-8.36,-15.94,;-5.7,-15.93,;-4.37,-15.17,;-2.91,-15.64,;-2,-14.4,;-.46,-14.4,;-2.91,-13.15,;-4.37,-13.63,;-2.18,-17.01,;-3.01,-18.3,;-2.29,-19.67,;-.75,-19.73,;-.03,-21.08,;.06,-18.41,;-.65,-17.05,;.16,-15.75,)|
Show InChI InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412814
PNG
(CHEMBL456660)
Show SMILES CCc1cc(ccc1N1CCc2c1nc(C)cc2-n1ccc(n1)N1CCNC1=O)C#N
Show InChI InChI=1S/C23H23N7O/c1-3-17-13-16(14-24)4-5-19(17)28-9-6-18-20(12-15(2)26-22(18)28)30-10-7-21(27-30)29-11-8-25-23(29)31/h4-5,7,10,12-13H,3,6,8-9,11H2,1-2H3,(H,25,31)
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413198
PNG
(CHEMBL458825)
Show SMILES COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(C)c1
Show InChI InChI=1S/C21H19N5OS/c1-14-13-15(27-2)3-4-18(14)25-10-6-16-19(5-8-22-20(16)25)26-11-7-17(24-26)21-23-9-12-28-21/h3-5,7-9,11-13H,6,10H2,1-2H3
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n/an/a 53.7n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413208
PNG
(CHEMBL462789)
Show SMILES COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(Cl)c1
Show InChI InChI=1S/C20H16ClN5OS/c1-27-13-2-3-18(15(21)12-13)25-9-5-14-17(4-7-22-19(14)25)26-10-6-16(24-26)20-23-8-11-28-20/h2-4,6-8,10-12H,5,9H2,1H3
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n/an/a 56.2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412812
PNG
(CHEMBL459173)
Show SMILES COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNC2=O)c(c1)C(F)F
Show InChI InChI=1S/C22H22F2N6O2/c1-13-11-18(30-9-6-19(27-30)29-10-7-25-22(29)31)15-5-8-28(21(15)26-13)17-4-3-14(32-2)12-16(17)20(23)24/h3-4,6,9,11-12,20H,5,7-8,10H2,1-2H3,(H,25,31)
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n/an/a 56.2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413196
PNG
(CHEMBL457714)
Show SMILES [O-][N+](=O)c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H13F3N6O2S/c21-20(22,23)14-11-12(29(30)31)1-2-17(14)27-8-4-13-16(3-6-24-18(13)27)28-9-5-15(26-28)19-25-7-10-32-19/h1-3,5-7,9-11H,4,8H2
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n/an/a 58.9n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413221
PNG
(CHEMBL504383)
Show SMILES COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(C)n1
Show InChI InChI=1S/C20H18N6OS/c1-13-16(3-4-18(23-13)27-2)25-10-6-14-17(5-8-21-19(14)25)26-11-7-15(24-26)20-22-9-12-28-20/h3-5,7-9,11-12H,6,10H2,1-2H3
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n/an/a 60.3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412798
PNG
(EMICERFONT)
Show SMILES COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNC2=O)c(C)c1
Show InChI InChI=1S/C22H24N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7,10,12-13H,6,8-9,11H2,1-3H3,(H,23,29)
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n/an/a 66.1n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412808
PNG
(CHEMBL456640)
Show SMILES Cc1cc(c2CCN(c2n1)c1ccc(OC(F)(F)F)cc1C)-n1ccc(n1)N1CCNC1=O
Show InChI InChI=1S/C22H21F3N6O2/c1-13-11-15(33-22(23,24)25)3-4-17(13)29-8-5-16-18(12-14(2)27-20(16)29)31-9-6-19(28-31)30-10-7-26-21(30)32/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,26,32)
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n/an/a 67.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412809
PNG
(CHEMBL516170)
Show SMILES Cc1cc(c2CCN(c2n1)c1ccc(cc1C)C#N)-n1ccc(n1)N1CCNC1=O
Show InChI InChI=1S/C22H21N7O/c1-14-11-16(13-23)3-4-18(14)27-8-5-17-19(12-15(2)25-21(17)27)29-9-6-20(26-29)28-10-7-24-22(28)30/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,24,30)
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n/an/a 67.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413197
PNG
(CHEMBL458824)
Show SMILES FC(F)(F)c1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
Show InChI InChI=1S/C21H13F3N6S/c22-21(23,24)15-11-13(12-25)1-2-18(15)29-8-4-14-17(3-6-26-19(14)29)30-9-5-16(28-30)20-27-7-10-31-20/h1-3,5-7,9-11H,4,8H2
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n/an/a 87.1n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412817
PNG
(CHEMBL464185)
Show SMILES Cc1cc(c2CCN(c2n1)c1ccc(cc1C(F)(F)F)C(F)(F)F)-n1ccc(n1)-n1cc[nH]c1=O
Show InChI InChI=1S/C22H16F6N6O/c1-12-10-17(34-8-5-18(31-34)33-9-6-29-20(33)35)14-4-7-32(19(14)30-12)16-3-2-13(21(23,24)25)11-15(16)22(26,27)28/h2-3,5-6,8-11H,4,7H2,1H3,(H,29,35)
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n/an/a 89.1n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413227
PNG
(CHEMBL459006)
Show SMILES FC(F)(F)c1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1ccccn1)C#N
Show InChI InChI=1S/C23H15F3N6/c24-23(25,26)17-13-15(14-27)4-5-21(17)31-11-7-16-20(6-10-29-22(16)31)32-12-8-19(30-32)18-3-1-2-9-28-18/h1-6,8-10,12-13H,7,11H2
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n/an/a 93.3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413199
PNG
(CHEMBL513967)
Show SMILES Cc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
Show InChI InChI=1S/C21H16N6S/c1-14-12-15(13-22)2-3-18(14)26-9-5-16-19(4-7-23-20(16)26)27-10-6-17(25-27)21-24-8-11-28-21/h2-4,6-8,10-12H,5,9H2,1H3
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413229
PNG
(CHEMBL514761)
Show SMILES Clc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-n1cccn1)C#N
Show InChI InChI=1S/C20H14ClN7/c21-16-12-14(13-22)2-3-18(16)26-10-5-15-17(4-8-23-20(15)26)27-11-6-19(25-27)28-9-1-7-24-28/h1-4,6-9,11-12H,5,10H2
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n/an/a 115n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412813
PNG
(CHEMBL513937)
Show SMILES Cc1cc(c2CCN(c2n1)c1ccc(cc1OC(F)(F)F)C#N)-n1ccc(n1)N1CCNC1=O
Show InChI InChI=1S/C22H18F3N7O2/c1-13-10-17(32-8-5-19(29-32)31-9-6-27-21(31)33)15-4-7-30(20(15)28-13)16-3-2-14(12-26)11-18(16)34-22(23,24)25/h2-3,5,8,10-11H,4,6-7,9H2,1H3,(H,27,33)
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n/an/a 120n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412802
PNG
(CHEMBL515363)
Show SMILES COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)-n2cc[nH]c2=O)c(C)c1
Show InChI InChI=1S/C22H22N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7-8,10-13H,6,9H2,1-3H3,(H,23,29)
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n/an/a 120n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412799
PNG
(CHEMBL458599)
Show SMILES COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCCC2=O)c(C)c1
Show InChI InChI=1S/C23H25N5O2/c1-15-13-17(30-3)6-7-19(15)26-11-8-18-20(14-16(2)24-23(18)26)28-12-9-21(25-28)27-10-4-5-22(27)29/h6-7,9,12-14H,4-5,8,10-11H2,1-3H3
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n/an/a 123n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413205
PNG
(CHEMBL459007)
Show SMILES CCc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
Show InChI InChI=1S/C22H18N6S/c1-2-16-13-15(14-23)3-4-19(16)27-10-6-17-20(5-8-24-21(17)27)28-11-7-18(26-28)22-25-9-12-29-22/h3-5,7-9,11-13H,2,6,10H2,1H3
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413200
PNG
(CHEMBL458826)
Show SMILES Cc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)-n1cccn1
Show InChI InChI=1S/C23H19N7S/c1-16-15-17(29-11-2-8-26-29)3-4-20(16)28-12-6-18-21(5-9-24-22(18)28)30-13-7-19(27-30)23-25-10-14-31-23/h2-5,7-11,13-15H,6,12H2,1H3
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n/an/a 129n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413230
PNG
(CHEMBL464390)
Show SMILES FC(F)(F)c1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-n1cccn1)C#N
Show InChI InChI=1S/C21H14F3N7/c22-21(23,24)16-12-14(13-25)2-3-18(16)29-10-5-15-17(4-8-26-20(15)29)30-11-6-19(28-30)31-9-1-7-27-31/h1-4,6-9,11-12H,5,10H2
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n/an/a 145n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412803
PNG
(CHEMBL456448)
Show SMILES COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCCNC2=O)c(C)c1
Show InChI InChI=1S/C23H26N6O2/c1-15-13-17(31-3)5-6-19(15)27-11-7-18-20(14-16(2)25-22(18)27)29-12-8-21(26-29)28-10-4-9-24-23(28)30/h5-6,8,12-14H,4,7,9-11H2,1-3H3,(H,24,30)
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n/an/a 145n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412816
PNG
(CHEMBL464184)
Show SMILES Cc1cc(c2CCN(c2n1)c1ccc(Cl)cc1Cl)-n1ccc(n1)-n1cc[nH]c1=O
Show InChI InChI=1S/C20H16Cl2N6O/c1-12-10-17(28-8-5-18(25-28)27-9-6-23-20(27)29)14-4-7-26(19(14)24-12)16-3-2-13(21)11-15(16)22/h2-3,5-6,8-11H,4,7H2,1H3,(H,23,29)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413207
PNG
(CHEMBL462788)
Show SMILES FC(F)(F)Oc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
Show InChI InChI=1S/C21H13F3N6OS/c22-21(23,24)31-18-11-13(12-25)1-2-17(18)29-8-4-14-16(3-6-26-19(14)29)30-9-5-15(28-30)20-27-7-10-32-20/h1-3,5-7,9-11H,4,8H2
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413201
PNG
(CHEMBL459174)
Show SMILES Cc1cc(F)ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
Show InChI InChI=1S/C20H16FN5S/c1-13-12-14(21)2-3-17(13)25-9-5-15-18(4-7-22-19(15)25)26-10-6-16(24-26)20-23-8-11-27-20/h2-4,6-8,10-12H,5,9H2,1H3
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n/an/a 162n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413206
PNG
(CHEMBL465216)
Show SMILES COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(OC)c1
Show InChI InChI=1S/C21H19N5O2S/c1-27-14-3-4-18(19(13-14)28-2)25-10-6-15-17(5-8-22-20(15)25)26-11-7-16(24-26)21-23-9-12-29-21/h3-5,7-9,11-13H,6,10H2,1-2H3
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n/an/a 174n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413222
PNG
(CHEMBL456651)
Show SMILES COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(OC)n1
Show InChI InChI=1S/C20H18N6O2S/c1-27-17-4-3-16(19(23-17)28-2)25-10-6-13-15(5-8-21-18(13)25)26-11-7-14(24-26)20-22-9-12-29-20/h3-5,7-9,11-12H,6,10H2,1-2H3
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n/an/a 214n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413226
PNG
(CHEMBL457741)
Show SMILES Cc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1ccccn1)C#N
Show InChI InChI=1S/C23H18N6/c1-16-14-17(15-24)5-6-21(16)28-12-8-18-22(7-11-26-23(18)28)29-13-9-20(27-29)19-4-2-3-10-25-19/h2-7,9-11,13-14H,8,12H2,1H3
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n/an/a 224n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413209
PNG
(CHEMBL517910)
Show SMILES Clc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
Show InChI InChI=1S/C20H13ClN6S/c21-15-11-13(12-22)1-2-18(15)26-8-4-14-17(3-6-23-19(14)26)27-9-5-16(25-27)20-24-7-10-28-20/h1-3,5-7,9-11H,4,8H2
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n/an/a 229n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413204
PNG
(CHEMBL514126)
Show SMILES Cc1cc(OC(F)(F)F)ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
Show InChI InChI=1S/C21H16F3N5OS/c1-13-12-14(30-21(22,23)24)2-3-17(13)28-9-5-15-18(4-7-25-19(15)28)29-10-6-16(27-29)20-26-8-11-31-20/h2-4,6-8,10-12H,5,9H2,1H3
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n/an/a 257n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413224
PNG
(CHEMBL458101)
Show SMILES CN(C)c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(C)n1
Show InChI InChI=1S/C21H21N7S/c1-14-17(4-5-19(24-14)26(2)3)27-11-7-15-18(6-9-22-20(15)27)28-12-8-16(25-28)21-23-10-13-29-21/h4-6,8-10,12-13H,7,11H2,1-3H3
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n/an/a 257n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50308254
PNG
(CHEMBL610220 | exo-6-(3,4-Dichlorophenyl)-6-{[(2,2...)
Show SMILES FC(F)(F)COC[C@]1([C@H]2CNC[C@@H]12)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H14Cl2F3NO/c15-11-2-1-8(3-12(11)16)13(6-21-7-14(17,18)19)9-4-20-5-10(9)13/h1-3,9-10,20H,4-7H2/t9-,10+,13+
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n/an/a 300n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human CYP2CD6 by fluorescence assay


J Med Chem 53: 2534-51 (2010)


Article DOI: 10.1021/jm901818u
BindingDB Entry DOI: 10.7270/Q2ST7PX2
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412804
PNG
(CHEMBL456449)
Show SMILES COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNS2(=O)=O)c(C)c1
Show InChI InChI=1S/C21H24N6O3S/c1-14-12-16(30-3)4-5-18(14)25-9-6-17-19(13-15(2)23-21(17)25)26-10-7-20(24-26)27-11-8-22-31(27,28)29/h4-5,7,10,12-13,22H,6,8-9,11H2,1-3H3
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n/an/a 309n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50413228
PNG
(CHEMBL459181)
Show SMILES Cc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-n1cccn1)C#N
Show InChI InChI=1S/C21H17N7/c1-15-13-16(14-22)3-4-18(15)26-11-6-17-19(5-9-23-21(17)26)27-12-7-20(25-27)28-10-2-8-24-28/h2-5,7-10,12-13H,6,11H2,1H3
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA


J Med Chem 51: 7273-86 (2009)


Article DOI: 10.1021/jm800743q
BindingDB Entry DOI: 10.7270/Q2TT4S62
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412806
PNG
(CHEMBL457710)
Show SMILES CCOc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNC2=O)c(C)c1
Show InChI InChI=1S/C23H26N6O2/c1-4-31-17-5-6-19(15(2)13-17)27-10-7-18-20(14-16(3)25-22(18)27)29-11-8-21(26-29)28-12-9-24-23(28)30/h5-6,8,11,13-14H,4,7,9-10,12H2,1-3H3,(H,24,30)
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50412815
PNG
(CHEMBL457742)
Show SMILES COc1cc(ccc1N1CCc2c1nc(C)cc2-n1ccc(n1)-n1cc[nH]c1=O)-n1cccn1
Show InChI InChI=1S/C24H22N8O2/c1-16-14-20(32-12-7-22(28-32)30-13-9-25-24(30)33)18-6-11-29(23(18)27-16)19-5-4-17(15-21(19)34-2)31-10-3-8-26-31/h3-5,7-10,12-15H,6,11H2,1-2H3,(H,25,33)
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n/an/a 363n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells


J Med Chem 51: 7370-9 (2009)


Article DOI: 10.1021/jm800744m
BindingDB Entry DOI: 10.7270/Q2N87C1X
More data for this
Ligand-Target Pair
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