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PubMed code 18975927

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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))		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))		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))		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))		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))		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))		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))		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))		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
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))		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))		BDBM50413225
PNG
(CHEMBL457740)
Show SMILES Clc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1ccccn1)C#N
Show InChI InChI=1S/C22H15ClN6/c23-17-13-15(14-24)4-5-21(17)28-11-7-16-20(6-10-26-22(16)28)29-12-8-19(27-29)18-3-1-2-9-25-18/h1-6,8-10,12-13H,7,11H2
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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 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))		BDBM50413231
PNG
(CHEMBL458353)
Show SMILES COc1ccc(c(C)c1)-n1ccc2c(cc(C)nc12)-n1ccc(n1)-c1nccs1
Show InChI InChI=1S/C22H19N5OS/c1-14-12-16(28-3)4-5-19(14)26-9-6-17-20(13-15(2)24-21(17)26)27-10-7-18(25-27)22-23-8-11-29-22/h4-13H,1-3H3
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n/an/a 427n/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))		BDBM50413211
PNG
(CHEMBL456241)
Show SMILES N#Cc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)-c1cccs1
Show InChI InChI=1S/C24H16N6S2/c25-15-17-14-16(22-2-1-12-31-22)3-4-20(17)29-10-6-18-21(5-8-26-23(18)29)30-11-7-19(28-30)24-27-9-13-32-24/h1-5,7-9,11-14H,6,10H2
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n/an/a 851n/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))		BDBM50413220
PNG
(CHEMBL458981)
Show SMILES Fc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
Show InChI InChI=1S/C20H13FN6S/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 2.04E+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))		BDBM50413210
PNG
(CHEMBL515070)
Show SMILES CS(=O)(=O)c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(Cl)c1
Show InChI InChI=1S/C20H16ClN5O2S2/c1-30(27,28)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)20-23-8-11-29-20/h2-4,6-8,10-12H,5,9H2,1H3
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n/an/a 2.34E+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))		BDBM50413232
PNG
(CHEMBL514272)
Show SMILES Cc1cc(-n2ccc(n2)-c2nccs2)c2cnn(-c3ccc(cc3C)C#N)c2n1
Show InChI InChI=1S/C21H15N7S/c1-13-9-15(11-22)3-4-18(13)28-20-16(12-24-28)19(10-14(2)25-20)27-7-5-17(26-27)21-23-6-8-29-21/h3-10,12H,1-2H3
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n/an/a 2.75E+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))		BDBM50413202
PNG
(CHEMBL458115)
Show SMILES Cc1cc(O)ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
Show InChI InChI=1S/C20H17N5OS/c1-13-12-14(26)2-3-17(13)24-9-5-15-18(4-7-21-19(15)24)25-10-6-16(23-25)20-22-8-11-27-20/h2-4,6-8,10-12,26H,5,9H2,1H3
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n/an/a 3.47E+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))		BDBM50413217
PNG
(CHEMBL457708)
Show SMILES CS(=O)(=O)c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H19N5O4S3/c1-32(27,28)14-3-4-18(19(13-14)33(2,29)30)25-10-6-15-17(5-8-22-20(15)25)26-11-7-16(24-26)21-23-9-12-31-21/h3-5,7-9,11-13H,6,10H2,1-2H3
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n/an/a 3.89E+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))		BDBM50413212
PNG
(CHEMBL458177)
Show SMILES N#Cc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)C#N
Show InChI InChI=1S/C21H13N7S/c22-12-14-1-2-18(15(11-14)13-23)27-8-4-16-19(3-6-24-20(16)27)28-9-5-17(26-28)21-25-7-10-29-21/h1-3,5-7,9-11H,4,8H2
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n/an/a 7.41E+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))		BDBM50413236
PNG
(CHEMBL458780)
Show SMILES Cc1cc(-n2ccc(n2)-c2nccs2)c2[nH]c(=O)n(-c3ccc(cc3C(F)(F)F)C(F)(F)F)c2n1 |(21.34,-6.37,;22.68,-5.6,;22.68,-4.05,;24.01,-3.28,;24,-1.74,;22.75,-.84,;23.23,.63,;24.77,.63,;25.25,-.83,;25.68,1.87,;27.22,1.88,;27.69,3.34,;26.44,4.23,;25.19,3.34,;25.34,-4.05,;26.82,-3.57,;27.73,-4.82,;29.27,-4.82,;26.82,-6.08,;27.29,-7.53,;26.26,-8.68,;26.73,-10.14,;28.24,-10.46,;29.27,-9.31,;28.79,-7.85,;29.82,-6.7,;30.91,-5.6,;28.7,-5.65,;30.94,-7.76,;28.72,-11.93,;29.11,-13.41,;30.2,-11.49,;27.25,-12.37,;25.34,-5.6,;24.01,-6.37,)|
Show InChI InChI=1S/C21H12F6N6OS/c1-10-8-15(32-6-4-13(31-32)18-28-5-7-35-18)16-17(29-10)33(19(34)30-16)14-3-2-11(20(22,23)24)9-12(14)21(25,26)27/h2-9H,1H3,(H,30,34)
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n/an/a 8.32E+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))		BDBM50413219
PNG
(CHEMBL458980)
Show SMILES COc1ccc(cc1)N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
Show InChI InChI=1S/C20H17N5OS/c1-26-15-4-2-14(3-5-15)24-11-7-16-18(6-9-21-19(16)24)25-12-8-17(23-25)20-22-10-13-27-20/h2-6,8-10,12-13H,7,11H2,1H3
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n/an/a 8.71E+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))		BDBM50413235
PNG
(CHEMBL458598)
Show SMILES COc1ccc2N(CCc2c1)c1cc(cc(C)n1)-n1ccc(n1)-c1nccs1
Show InChI InChI=1S/C21H19N5OS/c1-14-11-16(26-9-6-18(24-26)21-22-7-10-28-21)13-20(23-14)25-8-5-15-12-17(27-2)3-4-19(15)25/h3-4,6-7,9-13H,5,8H2,1-2H3
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n/an/a>1.00E+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 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))		BDBM50413215
PNG
(CHEMBL515055)
Show SMILES [O-][N+](=O)c1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
Show InChI InChI=1S/C20H13N7O2S/c21-12-13-1-2-17(18(11-13)27(28)29)25-8-4-14-16(3-6-22-19(14)25)26-9-5-15(24-26)20-23-7-10-30-20/h1-3,5-7,9-11H,4,8H2
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n/an/a>1.00E+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 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))		BDBM50413203
PNG
(CHEMBL458839)
Show SMILES Cc1noc(C)c1-c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(C)c1
Show InChI InChI=1S/C25H22N6OS/c1-15-14-18(23-16(2)29-32-17(23)3)4-5-21(15)30-11-7-19-22(6-9-26-24(19)30)31-12-8-20(28-31)25-27-10-13-33-25/h4-6,8-10,12-14H,7,11H2,1-3H3
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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))		BDBM50413216
PNG
(CHEMBL457707)
Show SMILES COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H16N6O3S/c1-29-13-2-3-17(18(12-13)26(27)28)24-9-5-14-16(4-7-21-19(14)24)25-10-6-15(23-25)20-22-8-11-30-20/h2-4,6-8,10-12H,5,9H2,1H3
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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))		BDBM50413234
PNG
(CHEMBL514717)
Show SMILES Cc1cc(c2CS(=O)(=O)N(c2n1)c1ccc(cc1C(F)(F)F)C(F)(F)F)-n1ccc(n1)-c1nccs1
Show InChI InChI=1S/C21H13F6N5O2S2/c1-11-8-17(31-6-4-15(30-31)19-28-5-7-35-19)13-10-36(33,34)32(18(13)29-11)16-3-2-12(20(22,23)24)9-14(16)21(25,26)27/h2-9H,10H2,1H3
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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))		BDBM50413237
PNG
(CHEMBL488592)
Show SMILES Cc1nc2c(cc(C)nc2n1-c1ccc(cc1C(F)(F)F)C(F)(F)F)-n1ccc(n1)-c1nccs1 |(.44,-25.52,;-1.1,-25.52,;-2.01,-24.26,;-3.48,-24.74,;-4.82,-23.98,;-6.15,-24.75,;-6.15,-26.29,;-7.48,-27.06,;-4.81,-27.06,;-3.48,-26.29,;-2.01,-26.77,;-1.53,-28.23,;-2.56,-29.38,;-2.09,-30.84,;-.58,-31.16,;.45,-30.01,;-.03,-28.55,;1,-27.4,;2.08,-26.3,;-.13,-26.35,;2.11,-28.46,;-.1,-32.62,;.29,-34.11,;1.37,-32.19,;-1.58,-33.07,;-4.82,-22.44,;-6.07,-21.54,;-5.6,-20.07,;-4.06,-20.07,;-3.58,-21.53,;-3.15,-18.82,;-1.61,-18.82,;-1.14,-17.35,;-2.39,-16.47,;-3.63,-17.36,)|
Show InChI InChI=1S/C22H14F6N6S/c1-11-9-17(33-7-5-15(32-33)20-29-6-8-35-20)18-19(30-11)34(12(2)31-18)16-4-3-13(21(23,24)25)10-14(16)22(26,27)28/h3-10H,1-2H3
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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))		BDBM50413214
PNG
(CHEMBL457522)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
Show InChI InChI=1S/C19H13ClN6O2S/c20-12-1-2-16(17(11-12)26(27)28)24-8-4-13-15(3-6-21-18(13)24)25-9-5-14(23-25)19-22-7-10-29-19/h1-3,5-7,9-11H,4,8H2
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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))		BDBM50413233
PNG
(CHEMBL458169)
Show SMILES Cc1cc(-n2ccc(n2)-c2nccs2)c2nc(n(-c3ccc(cc3C(F)(F)F)C(F)(F)F)c2n1)C(F)(F)F |(10.43,-27.88,;11.76,-27.11,;11.77,-25.57,;13.09,-24.79,;13.09,-23.26,;11.84,-22.35,;12.31,-20.89,;13.85,-20.88,;14.33,-22.35,;14.76,-19.64,;16.3,-19.63,;16.77,-18.17,;15.53,-17.28,;14.28,-18.18,;14.43,-25.56,;15.9,-25.08,;16.82,-26.33,;15.9,-27.59,;15.44,-29.06,;13.93,-29.38,;13.46,-30.85,;14.5,-31.99,;16.01,-31.65,;16.47,-30.19,;17.98,-29.86,;19.5,-29.6,;17.68,-28.34,;18.26,-31.37,;14.03,-33.46,;15.49,-33.96,;12.58,-32.95,;13.57,-34.92,;14.43,-27.11,;13.1,-27.88,;18.36,-26.33,;19.9,-26.33,;18.36,-27.87,;18.36,-24.79,)|
Show InChI InChI=1S/C22H11F9N6S/c1-10-8-15(36-6-4-13(35-36)18-32-5-7-38-18)16-17(33-10)37(19(34-16)22(29,30)31)14-3-2-11(20(23,24)25)9-12(14)21(26,27)28/h2-9H,1H3
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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))		BDBM50413213
PNG
(CHEMBL457503)
Show SMILES [O-][N+](=O)c1cc(F)ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
Show InChI InChI=1S/C19H13FN6O2S/c20-12-1-2-16(17(11-12)26(27)28)24-8-4-13-15(3-6-21-18(13)24)25-9-5-14(23-25)19-22-7-10-29-19/h1-3,5-7,9-11H,4,8H2
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n/an/a>1.00E+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 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
* indicates data uncertainty>20%