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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50144204'   
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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Article
PubMed
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))
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))
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 1.60E+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