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Compile Data Set for Download or QSAR

Found 152 hits with Last Name = 'szabo' and Initial = 't'   
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))
BDBM50054245
PNG
(5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl
Show InChI InChI=1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410281
PNG
(CHEMBL2094063)
Show SMILES CCCC[C@H](N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H30ClFN4O/c1-5-7-8-21(17-9-12-19(26)13-10-17)30(15-6-2)24-27-23(29(3)28-24)20-14-11-18(25)16-22(20)31-4/h9-14,16,21H,5-8,15H2,1-4H3/t21-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168462
PNG
(2-(2,4-Dichloro-phenyl)-4-methyl-6-(1-propyl-butyl...)
Show SMILES CCCC(CCC)N1CCc2nn(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23
Show InChI InChI=1S/C22H26Cl2N4/c1-4-6-16(7-5-2)27-11-10-18-21-20(27)12-14(3)25-22(21)28(26-18)19-9-8-15(23)13-17(19)24/h8-9,12-13,16H,4-7,10-11H2,1-3H3
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2.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074501
PNG
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)|
Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3
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3.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20330
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28)
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3.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20330
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28)
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3.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4136-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168475
PNG
(1-(2-Chloro-4-methyl-phenyl)-7-methyl-5-(1-propyl-...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(C)cc3Cl)c3nc(C)cc1c23
Show InChI InChI=1S/C24H30ClN3/c1-5-7-19(8-6-2)27-12-11-18-15-28(21-10-9-16(3)13-20(21)25)24-23(18)22(27)14-17(4)26-24/h9-10,13-15,19H,5-8,11-12H2,1-4H3
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3.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162472
PNG
((S)-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,...)
Show SMILES CCCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
Show InChI InChI=1S/C24H31ClN4O/c1-5-7-13-21(18-11-9-8-10-12-18)29(16-6-2)24-26-23(28(3)27-24)20-15-14-19(25)17-22(20)30-4/h8-12,14-15,17,21H,5-7,13,16H2,1-4H3
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4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168466
PNG
(1-(2,4-Dichloro-phenyl)-7-methyl-5-(1-propyl-butyl...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23
Show InChI InChI=1S/C23H27Cl2N3/c1-4-6-18(7-5-2)27-11-10-16-14-28(20-9-8-17(24)13-19(20)25)23-22(16)21(27)12-15(3)26-23/h8-9,12-14,18H,4-7,10-11H2,1-3H3
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4.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410280
PNG
(CHEMBL2094043)
Show SMILES CCCN([C@@H](CC)c1ccc(cc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 |r|
Show InChI InChI=1S/C23H26ClF3N4O/c1-5-13-31(19(6-2)15-7-9-16(10-8-15)23(25,26)27)22-28-21(30(3)29-22)18-12-11-17(24)14-20(18)32-4/h7-12,14,19H,5-6,13H2,1-4H3/t19-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168463
PNG
(1-(2,6-Dimethoxy-pyridin-3-yl)-7-methyl-5-(1-propy...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(OC)nc3OC)c3nc(C)cc1c23
Show InChI InChI=1S/C24H32N4O2/c1-6-8-18(9-7-2)27-13-12-17-15-28(23-22(17)20(27)14-16(3)25-23)19-10-11-21(29-4)26-24(19)30-5/h10-11,14-15,18H,6-9,12-13H2,1-5H3
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5.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410278
PNG
(CHEMBL2093962)
Show SMILES CCCC[C@H](N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1 |r|
Show InChI InChI=1S/C25H34N4O/c1-6-8-14-23(20-12-10-9-11-13-20)29(17-7-2)25-26-24(28(4)27-25)22-16-15-21(30-5)18-19(22)3/h9-13,15-16,18,23H,6-8,14,17H2,1-5H3/t23-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168474
PNG
(5-(1-Ethyl-propyl)-7-methyl-1-(2-methyl-4-trifluor...)
Show SMILES CCC(CC)N1CCc2cn(-c3ccc(OC(F)(F)F)cc3C)c3nc(C)cc1c23
Show InChI InChI=1S/C23H26F3N3O/c1-5-17(6-2)28-10-9-16-13-29(22-21(16)20(28)12-15(4)27-22)19-8-7-18(11-14(19)3)30-23(24,25)26/h7-8,11-13,17H,5-6,9-10H2,1-4H3
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6n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162458
PNG
((S)-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,...)
Show SMILES CCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
Show InChI InChI=1S/C23H29ClN4O/c1-5-10-20(17-11-8-7-9-12-17)28(15-6-2)23-25-22(27(3)26-23)19-14-13-18(24)16-21(19)29-4/h7-9,11-14,16,20H,5-6,10,15H2,1-4H3
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6.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168464
PNG
(1-(4-Methoxy-2-methyl-phenyl)-7-methyl-5-(1-propyl...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(OC)cc3C)c3nc(C)cc1c23
Show InChI InChI=1S/C25H33N3O/c1-6-8-20(9-7-2)27-13-12-19-16-28(22-11-10-21(29-5)14-17(22)3)25-24(19)23(27)15-18(4)26-25/h10-11,14-16,20H,6-9,12-13H2,1-5H3
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6.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162472
PNG
((S)-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,...)
Show SMILES CCCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
Show InChI InChI=1S/C24H31ClN4O/c1-5-7-13-21(18-11-9-8-10-12-18)29(16-6-2)24-26-23(28(3)27-24)20-15-14-19(25)17-22(20)30-4/h8-12,14-15,17,21H,5-7,13,16H2,1-4H3
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6.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162452
PNG
(CHEMBL426419 | [5-(4-Methoxy-2-methyl-phenyl)-1-me...)
Show SMILES CCCCC(N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1
Show InChI InChI=1S/C25H34N4O/c1-6-8-14-23(20-12-10-9-11-13-20)29(17-7-2)25-26-24(28(4)27-25)22-16-15-21(30-5)18-19(22)3/h9-13,15-16,18,23H,6-8,14,17H2,1-5H3
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6.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168473
PNG
(3-Chloro-4-[7-methyl-5-(1-propyl-butyl)-4,5-dihydr...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(cc3Cl)C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C24H27ClN4/c1-4-6-19(7-5-2)28-11-10-18-15-29(21-9-8-17(14-26)13-20(21)25)24-23(18)22(28)12-16(3)27-24/h8-9,12-13,15,19H,4-7,10-11H2,1-3H3
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7.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162462
PNG
(CHEMBL362453 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccc(F)cc1
Show InChI InChI=1S/C24H30ClFN4O/c1-5-7-8-21(17-9-12-19(26)13-10-17)30(15-6-2)24-27-23(29(3)28-24)20-14-11-18(25)16-22(20)31-4/h9-14,16,21H,5-8,15H2,1-4H3
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7.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
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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7.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410279
PNG
(CHEMBL2094044)
Show SMILES CCC[C@H](N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1 |r|
Show InChI InChI=1S/C24H32N4O/c1-6-11-22(19-12-9-8-10-13-19)28(16-7-2)24-25-23(27(4)26-24)21-15-14-20(29-5)17-18(21)3/h8-10,12-15,17,22H,6-7,11,16H2,1-5H3/t22-/m0/s1
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9n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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9.16n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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9.16n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4136-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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9.20n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by PDSP Ki Database




Mol Pharmacol 62: 947-56 (2002)


Article DOI: 10.1124/mol.62.4.947
BindingDB Entry DOI: 10.7270/Q2W094HG
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50107083
PNG
(CHEMBL110609 | [5-(2,4-Dichloro-phenyl)-1-methyl-1...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(Cl)cc2Cl)n(C)n1
Show InChI InChI=1S/C19H24Cl2N4/c1-3-10-25(17(12-4-5-12)13-6-7-13)19-22-18(24(2)23-19)15-9-8-14(20)11-16(15)21/h8-9,11-13,17H,3-7,10H2,1-2H3
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9.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162470
PNG
(CHEMBL178117 | [5-(4-Methoxy-2-methyl-phenyl)-1-me...)
Show SMILES CCCN(C(CC)c1ccc(cc1)C(F)(F)F)c1nc(-c2ccc(OC)cc2C)n(C)n1
Show InChI InChI=1S/C24H29F3N4O/c1-6-14-31(21(7-2)17-8-10-18(11-9-17)24(25,26)27)23-28-22(30(4)29-23)20-13-12-19(32-5)15-16(20)3/h8-13,15,21H,6-7,14H2,1-5H3
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11.7n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162476
PNG
(CHEMBL178735 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCN(C(CC)c1ccc(cc1)C(F)(F)F)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C23H26ClF3N4O/c1-5-13-31(19(6-2)15-7-9-16(10-8-15)23(25,26)27)22-28-21(30(3)29-22)18-12-11-17(24)14-20(18)32-4/h7-12,14,19H,5-6,13H2,1-4H3
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12n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168465
PNG
(5-Chloro-2-[7-methyl-5-(1-propyl-butyl)-4,5-dihydr...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C24H27ClN4/c1-4-6-20(7-5-2)28-11-10-17-15-29(21-9-8-19(25)13-18(21)14-26)24-23(17)22(28)12-16(3)27-24/h8-9,12-13,15,20H,4-7,10-11H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168477
PNG
(1-(2-Chloro-4-methanesulfonyl-phenyl)-7-methyl-5-(...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(cc3Cl)S(C)(=O)=O)c3nc(C)cc1c23
Show InChI InChI=1S/C24H30ClN3O2S/c1-5-7-18(8-6-2)27-12-11-17-15-28(24-23(17)22(27)13-16(3)26-24)21-10-9-19(14-20(21)25)31(4,29)30/h9-10,13-15,18H,5-8,11-12H2,1-4H3
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13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162458
PNG
((S)-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,...)
Show SMILES CCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
Show InChI InChI=1S/C23H29ClN4O/c1-5-10-20(17-11-8-7-9-12-17)28(15-6-2)23-25-22(27(3)26-23)19-14-13-18(24)16-21(19)29-4/h7-9,11-14,16,20H,5-6,10,15H2,1-4H3
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14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162470
PNG
(CHEMBL178117 | [5-(4-Methoxy-2-methyl-phenyl)-1-me...)
Show SMILES CCCN(C(CC)c1ccc(cc1)C(F)(F)F)c1nc(-c2ccc(OC)cc2C)n(C)n1
Show InChI InChI=1S/C24H29F3N4O/c1-6-14-31(21(7-2)17-8-10-18(11-9-17)24(25,26)27)23-28-22(30(4)29-23)20-13-12-19(32-5)15-16(20)3/h8-13,15,21H,6-7,14H2,1-5H3
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14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168469
PNG
(1-(4-Chloro-2,6-dimethyl-phenyl)-5-(1-methoxymethy...)
Show SMILES CCC(COC)N1CCc2cn(-c3c(C)cc(Cl)cc3C)c3nc(C)cc1c23 |(-5.96,4.44,;-4.63,3.66,;-4.63,2.12,;-5.96,1.37,;-7.29,2.14,;-8.62,1.37,;-3.28,1.34,;-1.95,2.11,;-.62,1.34,;-.62,-.21,;.54,-1.24,;-.49,-2.99,;.05,-4.44,;1.56,-4.68,;2.53,-3.5,;2.11,-6.11,;1.13,-7.32,;1.66,-8.75,;-.39,-7.07,;-.93,-5.62,;-2.45,-5.37,;-1.95,-2.53,;-3.28,-3.29,;-4.61,-2.53,;-5.96,-3.31,;-4.61,-.98,;-3.28,-.21,;-1.95,-.98,)|
Show InChI InChI=1S/C23H28ClN3O/c1-6-19(13-28-5)26-8-7-17-12-27(22-14(2)9-18(24)10-15(22)3)23-21(17)20(26)11-16(4)25-23/h9-12,19H,6-8,13H2,1-5H3
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16n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162454
PNG
((S)-[5-(2-Chloro-4,5-dimethoxy-phenyl)-1-methyl-1H...)
Show SMILES CCCC(N(CCC)c1nc(-c2cc(OC)c(OC)cc2Cl)n(C)n1)c1ccccc1
Show InChI InChI=1S/C24H31ClN4O2/c1-6-11-20(17-12-9-8-10-13-17)29(14-7-2)24-26-23(28(3)27-24)18-15-21(30-4)22(31-5)16-19(18)25/h8-10,12-13,15-16,20H,6-7,11,14H2,1-5H3
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16.3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162457
PNG
(CHEMBL179647 | [5-(2,4-Dimethoxy-phenyl)-1-methyl-...)
Show SMILES CCCC(N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1)c1ccccc1
Show InChI InChI=1S/C24H32N4O2/c1-6-11-21(18-12-9-8-10-13-18)28(16-7-2)24-25-23(27(3)26-24)20-15-14-19(29-4)17-22(20)30-5/h8-10,12-15,17,21H,6-7,11,16H2,1-5H3
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22n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162474
PNG
(CHEMBL179540 | [5-(2,4-Dimethoxy-phenyl)-1-methyl-...)
Show SMILES CCCCC(N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1)c1ccc(F)cc1
Show InChI InChI=1S/C25H33FN4O2/c1-6-8-9-22(18-10-12-19(26)13-11-18)30(16-7-2)25-27-24(29(3)28-25)21-15-14-20(31-4)17-23(21)32-5/h10-15,17,22H,6-9,16H2,1-5H3
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24n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162465
PNG
(CHEMBL433940 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCN(C(CC)c1ccccc1)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C22H27ClN4O/c1-5-14-27(19(6-2)16-10-8-7-9-11-16)22-24-21(26(3)25-22)18-13-12-17(23)15-20(18)28-4/h7-13,15,19H,5-6,14H2,1-4H3
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26n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50170266
PNG
(CHEMBL363267 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2F)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-17(11-18(15)21)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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27.3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4136-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50107069
PNG
(CHEMBL107786 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C20H27ClN4O/c1-4-11-25(18(13-5-6-13)14-7-8-14)20-22-19(24(2)23-20)16-10-9-15(21)12-17(16)26-3/h9-10,12-14,18H,4-8,11H2,1-3H3
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28n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168478
PNG
(7-Methyl-5-(1-propyl-butyl)-1-p-tolyl-1,3,4,5-tetr...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(C)cc3)c3nc(C)cc1c23
Show InChI InChI=1S/C24H31N3/c1-5-7-20(8-6-2)26-14-13-19-16-27(21-11-9-17(3)10-12-21)24-23(19)22(26)15-18(4)25-24/h9-12,15-16,20H,5-8,13-14H2,1-4H3
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30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168480
PNG
(5-Chloro-2-[5-(1-methoxymethyl-propyl)-7-methyl-4,...)
Show SMILES CCC(COC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C22H23ClN4O/c1-4-18(13-28-3)26-8-7-15-12-27(19-6-5-17(23)10-16(19)11-24)22-21(15)20(26)9-14(2)25-22/h5-6,9-10,12,18H,4,7-8,13H2,1-3H3
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40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50170262
PNG
(CHEMBL190637 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1
Show InChI InChI=1S/C20H26ClN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-17(11-18(15)21)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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45.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4136-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410282
PNG
(CHEMBL2093960)
Show SMILES CCCC[C@@H](N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H30ClFN4O/c1-5-7-8-21(17-9-12-19(26)13-10-17)30(15-6-2)24-27-23(29(3)28-24)20-14-11-18(25)16-22(20)31-4/h9-14,16,21H,5-8,15H2,1-4H3/t21-/m1/s1
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46n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50162459
PNG
(CHEMBL362847 | [5-(4-Chloro-2-methoxy-phenyl)-1-me...)
Show SMILES CCCCC(CC)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1
Show InChI InChI=1S/C20H31ClN4O/c1-6-9-10-16(8-3)25(13-7-2)20-22-19(24(4)23-20)17-12-11-15(21)14-18(17)26-5/h11-12,14,16H,6-10,13H2,1-5H3
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46n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168461
PNG
(2-(5-Butyl-7-methyl-4,5-dihydro-3H-1,5,8-triaza-ac...)
Show SMILES CCCCN1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C21H21ClN4/c1-3-4-8-25-9-7-15-13-26(18-6-5-17(22)11-16(18)12-23)21-20(15)19(25)10-14(2)24-21/h5-6,10-11,13H,3-4,7-9H2,1-2H3
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49n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20330
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28)
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50.4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20330
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28)
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50.4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX


Bioorg Med Chem Lett 15: 4136-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50410277
PNG
(CHEMBL2093961)
Show SMILES CCC[C@@H](N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1)c1ccccc1 |r|
Show InChI InChI=1S/C24H32N4O/c1-6-11-22(19-12-9-8-10-13-19)28(16-7-2)24-25-23(27(4)26-24)21-15-14-20(29-5)17-18(21)3/h8-10,12-15,17,22H,6-7,11,16H2,1-5H3/t22-/m1/s1
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51n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells


J Med Chem 48: 1540-9 (2005)


Article DOI: 10.1021/jm049339c
BindingDB Entry DOI: 10.7270/Q29P32DN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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53.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX


Bioorg Med Chem Lett 15: 4136-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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53.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20315
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H27N3O2S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)22-14-16-7-11-18(12-8-16)23-27(4,24)25/h5-12,23H,13-14H2,1-4H3,(H2,21,22,26)
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53.9n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by PDSP Ki Database




Mol Pharmacol 62: 947-56 (2002)


Article DOI: 10.1124/mol.62.4.947
BindingDB Entry DOI: 10.7270/Q2W094HG
More data for this
Ligand-Target Pair
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