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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50037512   
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))
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
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168460
PNG
(1-(2-Methoxy-phenyl)-7-methyl-5-(1-propyl-butyl)-1...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccccc3OC)c3nc(C)cc1c23
Show InChI InChI=1S/C24H31N3O/c1-5-9-19(10-6-2)26-14-13-18-16-27(20-11-7-8-12-22(20)28-4)24-23(18)21(26)15-17(3)25-24/h7-8,11-12,15-16,19H,5-6,9-10,13-14H2,1-4H3
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55n/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))
BDBM50168467
PNG
(5-Chloro-2-[5-(1-ethyl-propyl)-7-methyl-4,5-dihydr...)
Show SMILES CCC(CC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C22H23ClN4/c1-4-18(5-2)26-9-8-15-13-27(19-7-6-17(23)11-16(19)12-24)22-21(15)20(26)10-14(3)25-22/h6-7,10-11,13,18H,4-5,8-9H2,1-3H3
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62n/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))
BDBM50168479
PNG
(5-Chloro-2-[5-(2-methoxy-1-methoxymethyl-ethyl)-7-...)
Show SMILES COCC(COC)N1CCc2cn(-c3ccc(Cl)cc3C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C22H23ClN4O2/c1-14-8-20-21-15(6-7-26(20)18(12-28-2)13-29-3)11-27(22(21)25-14)19-5-4-17(23)9-16(19)10-24/h4-5,8-9,11,18H,6-7,12-13H2,1-3H3
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120n/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))
BDBM50168468
PNG
(1-(3-Methoxy-phenyl)-7-methyl-5-(1-propyl-butyl)-1...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3cccc(OC)c3)c3nc(C)cc1c23
Show InChI InChI=1S/C24H31N3O/c1-5-8-19(9-6-2)26-13-12-18-16-27(20-10-7-11-21(15-20)28-4)24-23(18)22(26)14-17(3)25-24/h7,10-11,14-16,19H,5-6,8-9,12-13H2,1-4H3
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190n/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))
BDBM50168470
PNG
(1-(4-Chloro-2-methyl-benzyl)-7-methyl-5-(1-propyl-...)
Show SMILES CCCC(CCC)N1CCc2cn(Cc3ccc(Cl)cc3C)c3nc(C)cc1c23
Show InChI InChI=1S/C25H32ClN3/c1-5-7-22(8-6-2)29-12-11-20-16-28(15-19-9-10-21(26)13-17(19)3)25-24(20)23(29)14-18(4)27-25/h9-10,13-14,16,22H,5-8,11-12,15H2,1-4H3
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1.90E+3n/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))
BDBM50168476
PNG
(1-(3-Isopropoxy-propyl)-7-methyl-5-(1-propyl-butyl...)
Show SMILES CCCC(CCC)N1CCc2cn(CCCOC(C)C)c3nc(C)cc1c23
Show InChI InChI=1S/C23H37N3O/c1-6-9-20(10-7-2)26-13-11-19-16-25(12-8-14-27-17(3)4)23-22(19)21(26)15-18(5)24-23/h15-17,20H,6-14H2,1-5H3
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4.10E+3n/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