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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50014539   
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))
BDBM50144204
PNG
(CHEMBL63989 | [4-(2-Chloro-4,6-dimethoxy-phenyl)-p...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1c(Cl)cc(OC)cc1OC
Show InChI InChI=1S/C22H28ClN3O2/c1-4-11-26(21(14-5-6-14)15-7-8-15)22-24-10-9-18(25-22)20-17(23)12-16(27-2)13-19(20)28-3/h9-10,12-15,21H,4-8,11H2,1-3H3
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144193
PNG
(CHEMBL65484 | Dicyclopropylmethyl-propyl-[4-(2,4,6...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H31N3O3/c1-5-12-26(22(15-6-7-15)16-8-9-16)23-24-11-10-18(25-23)21-19(28-3)13-17(27-2)14-20(21)29-4/h10-11,13-16,22H,5-9,12H2,1-4H3
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15n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144191
PNG
(CHEMBL61954 | Dicyclopropylmethyl-[4-(2,4-dimethox...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1ncc(C)c(n1)-c1c(C)cc(OC)cc1OC |(15.35,-8.38,;15.35,-6.84,;14.01,-6.08,;13.99,-4.54,;15.32,-3.75,;15.32,-2.21,;16.09,-.87,;14.55,-.89,;16.67,-4.52,;17.44,-5.85,;18.2,-4.52,;12.66,-3.77,;12.65,-2.22,;11.3,-1.46,;9.97,-2.23,;8.64,-1.47,;9.98,-3.77,;11.32,-4.54,;8.66,-4.54,;8.66,-6.1,;9.99,-6.87,;7.32,-6.87,;5.99,-6.1,;4.65,-6.86,;4.65,-8.4,;5.99,-4.56,;7.32,-3.77,;7.32,-2.25,;5.97,-1.48,)|
Show InChI InChI=1S/C24H33N3O2/c1-6-11-27(23(17-7-8-17)18-9-10-18)24-25-14-16(3)22(26-24)21-15(2)12-19(28-4)13-20(21)29-5/h12-14,17-18,23H,6-11H2,1-5H3
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15n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144194
PNG
(CHEMBL293627 | Dicyclopropylmethyl-[4-(2,4-dimetho...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1ncc(C)c(n1)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C23H31N3O2/c1-5-12-26(22(16-6-7-16)17-8-9-17)23-24-14-15(2)21(25-23)19-11-10-18(27-3)13-20(19)28-4/h10-11,13-14,16-17,22H,5-9,12H2,1-4H3
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19n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144196
PNG
(CHEMBL63029 | [4-(4-Bromo-phenyl)-5-methyl-pyrimid...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1ncc(C)c(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H26BrN3/c1-3-12-25(20(16-4-5-16)17-6-7-17)21-23-13-14(2)19(24-21)15-8-10-18(22)11-9-15/h8-11,13,16-17,20H,3-7,12H2,1-2H3
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49n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144200
PNG
(CHEMBL63457 | Dicyclopropylmethyl-[4-(2-fluoro-4,6...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1c(F)cc(OC)cc1OC
Show InChI InChI=1S/C22H28FN3O2/c1-4-11-26(21(14-5-6-14)15-7-8-15)22-24-10-9-18(25-22)20-17(23)12-16(27-2)13-19(20)28-3/h9-10,12-15,21H,4-8,11H2,1-3H3
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63n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144197
PNG
(CHEMBL66249 | [4-(4-Bromo-2-methyl-phenyl)-5-methy...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1ncc(C)c(n1)-c1ccc(Br)cc1C
Show InChI InChI=1S/C22H28BrN3/c1-4-11-26(21(16-5-6-16)17-7-8-17)22-24-13-15(3)20(25-22)19-10-9-18(23)12-14(19)2/h9-10,12-13,16-17,21H,4-8,11H2,1-3H3
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63n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144203
PNG
(Allyl-dicyclopropylmethyl-[4-(2,4,6-trimethoxy-phe...)
Show SMILES COc1cc(OC)c(c(OC)c1)-c1ccnc(n1)N(CC=C)C(C1CC1)C1CC1
Show InChI InChI=1S/C23H29N3O3/c1-5-12-26(22(15-6-7-15)16-8-9-16)23-24-11-10-18(25-23)21-19(28-3)13-17(27-2)14-20(21)29-4/h5,10-11,13-16,22H,1,6-9,12H2,2-4H3
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100n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144192
PNG
(CHEMBL291657 | [4-(4-Bromo-phenyl)-5,6-dimethyl-py...)
Show SMILES COc1cc(Cl)c(cc1C)-c1nc(sc1C)N(CC#C)[C@@H](CC1CC1)c1ccc(C)c(F)c1
Show InChI InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1
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240n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144202
PNG
(((R)-Cyclopropyl-phenyl-methyl)-propyl-[4-(2,4,6-t...)
Show SMILES CCCN([C@H](C1CC1)c1ccccc1)c1nccc(n1)-c1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C26H31N3O3/c1-5-15-29(25(19-11-12-19)18-9-7-6-8-10-18)26-27-14-13-21(28-26)24-22(31-3)16-20(30-2)17-23(24)32-4/h6-10,13-14,16-17,19,25H,5,11-12,15H2,1-4H3/t25-/m0/s1
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240n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144190
PNG
(CHEMBL302396 | Propyl-(1-thiophen-2-yl-cyclopropyl...)
Show SMILES CCCN(c1nccc(n1)-c1c(OC)cc(OC)cc1OC)C1(CC1)c1cccs1
Show InChI InChI=1S/C23H27N3O3S/c1-5-12-26(23(9-10-23)20-7-6-13-30-20)22-24-11-8-17(25-22)21-18(28-3)14-16(27-2)15-19(21)29-4/h6-8,11,13-15H,5,9-10,12H2,1-4H3
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250n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144201
PNG
(CHEMBL305354 | Dicyclopropylmethyl-[4-(2,4-dimetho...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C22H29N3O2/c1-4-13-25(21(15-5-6-15)16-7-8-16)22-23-12-11-19(24-22)18-10-9-17(26-2)14-20(18)27-3/h9-12,14-16,21H,4-8,13H2,1-3H3
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460n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144199
PNG
((1-Furan-3-yl-cyclopropyl)-propyl-[4-(2,4,6-trimet...)
Show SMILES CCCN(c1nccc(n1)-c1c(OC)cc(OC)cc1OC)C1(CC1)c1ccoc1
Show InChI InChI=1S/C23H27N3O4/c1-5-11-26(23(8-9-23)16-7-12-30-15-16)22-24-10-6-18(25-22)21-19(28-3)13-17(27-2)14-20(21)29-4/h6-7,10,12-15H,5,8-9,11H2,1-4H3
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700n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144195
PNG
(CHEMBL63585 | Dicyclopropylmethyl-[4-(2,4-dimethox...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1ncc(CC)c(n1)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C24H33N3O2/c1-5-13-27(23(17-7-8-17)18-9-10-18)24-25-15-16(6-2)22(26-24)20-12-11-19(28-3)14-21(20)29-4/h11-12,14-15,17-18,23H,5-10,13H2,1-4H3
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860n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144198
PNG
(CHEMBL305583 | Propyl-(1-thiophen-3-yl-cyclopropyl...)
Show SMILES CCCN(c1nccc(n1)-c1c(OC)cc(OC)cc1OC)C1(CC1)c1ccsc1
Show InChI InChI=1S/C23H27N3O3S/c1-5-11-26(23(8-9-23)16-7-12-30-15-16)22-24-10-6-18(25-22)21-19(28-3)13-17(27-2)14-20(21)29-4/h6-7,10,12-15H,5,8-9,11H2,1-4H3
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2.00E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144189
PNG
(CHEMBL65979 | Cyclopentyl-propyl-[4-(2,4,6-trimeth...)
Show SMILES CCCN(C1CCCC1)c1nccc(n1)-c1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C21H29N3O3/c1-5-12-24(15-8-6-7-9-15)21-22-11-10-17(23-21)20-18(26-3)13-16(25-2)14-19(20)27-4/h10-11,13-15H,5-9,12H2,1-4H3
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2.20E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]-CRF from CHO cells


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144204
PNG
(CHEMBL63989 | [4-(2-Chloro-4,6-dimethoxy-phenyl)-p...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1c(Cl)cc(OC)cc1OC
Show InChI InChI=1S/C22H28ClN3O2/c1-4-11-26(21(14-5-6-14)15-7-8-15)22-24-10-9-18(25-22)20-17(23)12-16(27-2)13-19(20)28-3/h9-10,12-15,21H,4-8,11H2,1-3H3
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n/an/an/an/a 1.10E+3n/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Effective dose of the compound against CRF stimulated cAMP production in CHO cells expressing human Corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144193
PNG
(CHEMBL65484 | Dicyclopropylmethyl-propyl-[4-(2,4,6...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H31N3O3/c1-5-12-26(22(15-6-7-15)16-8-9-16)23-24-11-10-18(25-23)21-19(28-3)13-17(27-2)14-20(21)29-4/h10-11,13-16,22H,5-9,12H2,1-4H3
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n/an/an/an/a 970n/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Effective dose of the compound against CRF stimulated cAMP production in CHO cells expressing human Corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144193
PNG
(CHEMBL65484 | Dicyclopropylmethyl-propyl-[4-(2,4,6...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H31N3O3/c1-5-12-26(22(15-6-7-15)16-8-9-16)23-24-11-10-18(25-23)21-19(28-3)13-17(27-2)14-20(21)29-4/h10-11,13-16,22H,5-9,12H2,1-4H3
PDB
MMDB

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PC sid
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Article
PubMed
n/an/an/an/a 990n/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Effective dose of the compound against human Corticotropin releasing factor receptor 1 stimulated ACTH release from primary rat anterior pituitary ce...


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50144204
PNG
(CHEMBL63989 | [4-(2-Chloro-4,6-dimethoxy-phenyl)-p...)
Show SMILES CCCN(C(C1CC1)C1CC1)c1nccc(n1)-c1c(Cl)cc(OC)cc1OC
Show InChI InChI=1S/C22H28ClN3O2/c1-4-11-26(21(14-5-6-14)15-7-8-15)22-24-10-9-18(25-22)20-17(23)12-16(27-2)13-19(20)28-3/h9-10,12-15,21H,4-8,11H2,1-3H3
PDB
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Article
PubMed
n/an/an/an/a 1.60E+3n/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Effective dose of the compound against human Corticotropin releasing factor receptor 1 stimulated ACTH release from primary rat anterior pituitary ce...


Bioorg Med Chem Lett 14: 2083-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.053
BindingDB Entry DOI: 10.7270/Q2JH3KKJ
More data for this
Ligand-Target Pair