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PubMed code 21074436

Compile data set for download or QSAR
Found 17 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))
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
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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PubMed
3.98n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417500
PNG
(CHEMBL1287877)
Show SMILES CCN(Cc1nc(C)no1)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C
Show InChI InChI=1S/C22H26N6O2/c1-7-27(12-19-24-16(5)26-30-19)20-11-14(3)23-22-21(15(4)25-28(20)22)18-9-8-17(29-6)10-13(18)2/h8-11H,7,12H2,1-6H3
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5.01n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417503
PNG
(GSK-561679 | GSK561679A | NBI-77860 | VERUCERFONT)
Show SMILES CC[C@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1
Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1
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6.31n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417501
PNG
(CHEMBL1287904)
Show SMILES CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1
Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3
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7.94n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417502
PNG
(CHEMBL1287905)
Show SMILES CC[C@@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1
Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m1/s1
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10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417512
PNG
(CHEMBL1287878)
Show SMILES COc1ccc(-c2c(C)nn3c(NC(C)c4nc(C)no4)cc(C)nc23)c(C)c1
Show InChI InChI=1S/C21H24N6O2/c1-11-9-16(28-6)7-8-17(11)19-13(3)25-27-18(10-12(2)22-20(19)27)23-14(4)21-24-15(5)26-29-21/h7-10,14,23H,1-6H3
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25.1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417504
PNG
(CHEMBL1287936)
Show SMILES COc1ccc(-c2c(C)nn3c(NC4(CC4)c4nc(C)no4)cc(C)nc23)c(C)c1
Show InChI InChI=1S/C22H24N6O2/c1-12-10-16(29-5)6-7-17(12)19-14(3)26-28-18(11-13(2)23-20(19)28)25-22(8-9-22)21-24-15(4)27-30-21/h6-7,10-11,25H,8-9H2,1-5H3
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31.6n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417506
PNG
(CHEMBL1287966)
Show SMILES COc1ccc(-c2c(C)nn3c(NC(C)Cc4nc(C)no4)cc(C)nc23)c(C)c1
Show InChI InChI=1S/C22H26N6O2/c1-12-9-17(29-6)7-8-18(12)21-15(4)26-28-19(10-13(2)24-22(21)28)23-14(3)11-20-25-16(5)27-30-20/h7-10,14,23H,11H2,1-6H3
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31.6n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417510
PNG
(CHEMBL1288027)
Show SMILES CCC(Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C)c1nc(C)no1
Show InChI InChI=1S/C22H28N8O/c1-8-17(22-25-15(5)28-31-22)26-19-10-13(3)24-21-20(14(4)27-30(19)21)16-11-23-18(29(6)7)9-12(16)2/h9-11,17,26H,8H2,1-7H3
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50.1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417505
PNG
(CHEMBL1287965)
Show SMILES COc1ccc(-c2c(C)nn3c(NC4(CCC4)c4nc(C)no4)cc(C)nc23)c(C)c1
Show InChI InChI=1S/C23H26N6O2/c1-13-11-17(30-5)7-8-18(13)20-15(3)27-29-19(12-14(2)24-21(20)29)26-23(9-6-10-23)22-25-16(4)28-31-22/h7-8,11-12,26H,6,9-10H2,1-5H3
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50.1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417511
PNG
(CHEMBL1288058)
Show SMILES CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC)c1nc(C)no1
Show InChI InChI=1S/C22H26N6O3/c1-7-17(22-24-14(4)27-31-22)25-19-10-12(2)23-21-20(13(3)26-28(19)21)16-9-8-15(29-5)11-18(16)30-6/h8-11,17,25H,7H2,1-6H3
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50.1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417499
PNG
(CHEMBL1287848)
Show SMILES COc1ccc(-c2c(C)nn3c(NCc4nc(C)no4)cc(C)nc23)c(C)c1
Show InChI InChI=1S/C20H22N6O2/c1-11-8-15(27-5)6-7-16(11)19-13(3)24-26-17(9-12(2)22-20(19)26)21-10-18-23-14(4)25-28-18/h6-9,21H,10H2,1-5H3
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63.1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417509
PNG
(CHEMBL1288026)
Show SMILES COc1ccc(-c2c(C)nn3c(NC(C)Cc4noc(C)n4)cc(C)nc23)c(C)c1
Show InChI InChI=1S/C22H26N6O2/c1-12-9-17(29-6)7-8-18(12)21-15(4)26-28-20(11-14(3)24-22(21)28)23-13(2)10-19-25-16(5)30-27-19/h7-9,11,13,23H,10H2,1-6H3
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79.4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417507
PNG
(CHEMBL1287996)
Show SMILES CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nnc(C)o1
Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-26-25-15(5)30-22)24-19-11-13(3)23-21-20(14(4)27-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,24H,7H2,1-6H3
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100n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417508
PNG
(CHEMBL1287997)
Show SMILES COc1ccc(-c2c(C)nn3c(NC(C)Cc4nnc(C)o4)cc(C)nc23)c(C)c1
Show InChI InChI=1S/C22H26N6O2/c1-12-9-17(29-6)7-8-18(12)21-15(4)27-28-19(10-13(2)24-22(21)28)23-14(3)11-20-26-25-16(5)30-20/h7-10,14,23H,11H2,1-6H3
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251n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417503
PNG
(GSK-561679 | GSK561679A | NBI-77860 | VERUCERFONT)
Show SMILES CC[C@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1
Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50417502
PNG
(CHEMBL1287905)
Show SMILES CC[C@@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1
Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor


Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%