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Compile Data Set for Download or QSAR

Found 2187 hits with Last Name = 'xie' and Initial = 'y'   
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))
BDBM50132965
PNG
(CHEMBL115389 | Cyclopropylmethyl-[8-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H24Cl2N2/c1-3-11-27(14-16-7-8-16)22-12-15(2)26-23-19(5-4-6-20(22)23)18-10-9-17(24)13-21(18)25/h4-6,9-10,12-13,16H,3,7-8,11,14H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132951
PNG
(8-(2,4-dichlorophenyl)-2-methyl-N,N-dipropylquinol...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)21-13-15(3)25-22-18(7-6-8-19(21)22)17-10-9-16(23)14-20(17)24/h6-10,13-14H,4-5,11-12H2,1-3H3
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0.900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human CRF1 receptor expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152188
PNG
((4-Chloro-benzyl)-[3-(6-dimethylamino-4-methyl-pyr...)
Show SMILES CCN(Cc1ccc(Cl)cc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.7,1.45,;4.67,.3,;3.17,.61,;2.68,2.07,;3.69,3.22,;3.2,4.68,;4.21,5.83,;5.75,5.52,;6.77,6.67,;6.23,4.05,;5.21,2.91,;2.15,-.54,;2.61,-1.99,;1.59,-3.15,;2.08,-4.6,;.1,-2.83,;-.39,-1.38,;-1.8,-.75,;-1.65,.79,;-2.8,1.8,;-.14,1.11,;.63,-.23,;-3.13,-1.52,;-3.13,-3.08,;-4.45,-3.85,;-5.79,-3.08,;-5.79,-1.54,;-4.45,-.75,;-4.46,.79,;-7.13,-3.85,;-8.46,-3.08,;-7.13,-5.39,)|
Show InChI InChI=1S/C25H29ClN6/c1-7-31(15-19-8-10-20(26)11-9-19)23-13-17(3)28-25-24(18(4)29-32(23)25)21-14-27-22(30(5)6)12-16(21)2/h8-14H,7,15H2,1-6H3
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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50071235
PNG
(CHEMBL65078 | Cyclopropylmethyl-[3-(2,4-dichloro-p...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(17.18,-6.55,;17.15,-8.09,;15.79,-8.82,;15.75,-10.36,;17.06,-11.17,;17.01,-12.71,;18.31,-13.5,;15.65,-13.44,;14.4,-11.1,;14.35,-12.63,;12.98,-13.38,;12.93,-14.91,;11.67,-12.57,;11.72,-11.01,;10.61,-9.94,;11.28,-8.56,;10.55,-7.21,;12.81,-8.78,;13.09,-10.29,;9.11,-10.22,;8.1,-9.04,;6.59,-9.31,;6.08,-10.76,;4.57,-11.03,;7.07,-11.93,;8.59,-11.67,;9.57,-12.83,)|
Show InChI InChI=1S/C21H24Cl2N4/c1-4-9-26(12-15-5-6-15)19-10-13(2)24-21-20(14(3)25-27(19)21)17-8-7-16(22)11-18(17)23/h7-8,10-11,15H,4-6,9,12H2,1-3H3
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1.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
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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1.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CRF binding to human Corticotropin releasing factor receptor 1 tested at 6-12 doses


J Med Chem 39: 4358-60 (1996)


Article DOI: 10.1021/jm960149e
BindingDB Entry DOI: 10.7270/Q29022V6
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50054252
PNG
(5-Bromo-N-cyclopropylmethyl-2-methyl-N-propyl-N'-(...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Br
Show InChI InChI=1S/C18H20BrCl3N4/c1-3-6-26(9-11-4-5-11)18-15(19)17(23-10(2)24-18)25-16-13(21)7-12(20)8-14(16)22/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

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CRF binding to human Corticotropin releasing factor receptor 1 tested at 6-12 doses


J Med Chem 39: 4358-60 (1996)


Article DOI: 10.1021/jm960149e
BindingDB Entry DOI: 10.7270/Q29022V6
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132973
PNG
(CHEMBL114596 | Cyclopropylmethyl-[2-methyl-8-(2,4,...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(9.34,3.42,;9.34,1.88,;8.01,1.11,;8.01,-.43,;9.36,-1.2,;9.36,-2.74,;8.03,-3.51,;10.69,-3.51,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
Show InChI InChI=1S/C26H32N2/c1-6-12-28(16-21-10-11-21)24-15-20(5)27-26-22(24)8-7-9-23(26)25-18(3)13-17(2)14-19(25)4/h7-9,13-15,21H,6,10-12,16H2,1-5H3
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2.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152164
PNG
(CHEMBL366155 | [3-(6-Dimethylamino-2-methyl-pyridi...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(nc1C)N(C)C |(3.88,5.71,;4.35,4.24,;3.34,3.1,;3.81,1.63,;5.33,1.32,;6.35,2.47,;7.85,2.16,;2.78,.48,;3.27,-.98,;2.25,-2.13,;2.73,-3.59,;.75,-1.8,;.26,-.36,;-1.14,.27,;-1,1.81,;-2.14,2.82,;.52,2.12,;1.29,.79,;-2.47,-.52,;-3.8,.26,;-5.13,-.52,;-5.13,-2.06,;-3.8,-2.83,;-2.47,-2.06,;-1.14,-2.83,;-6.48,-2.83,;-6.48,-4.37,;-7.81,-2.06,)|
Show InChI InChI=1S/C22H32N6/c1-8-12-27(13-9-2)20-14-15(3)23-22-21(17(5)25-28(20)22)18-10-11-19(26(6)7)24-16(18)4/h10-11,14H,8-9,12-13H2,1-7H3
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2.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50054250
PNG
(CHEMBL306482 | N-Cyclopropylmethyl-2,5-dimethyl-N-...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C
Show InChI InChI=1S/C19H23Cl3N4/c1-4-7-26(10-13-5-6-13)19-11(2)18(23-12(3)24-19)25-17-15(21)8-14(20)9-16(17)22/h8-9,13H,4-7,10H2,1-3H3,(H,23,24,25)
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2.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CRF binding to human Corticotropin releasing factor receptor 1 tested at 6-12 doses


J Med Chem 39: 4358-60 (1996)


Article DOI: 10.1021/jm960149e
BindingDB Entry DOI: 10.7270/Q29022V6
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152183
PNG
(CHEMBL186033 | [3-(6-Dimethylamino-4-methyl-pyridi...)
Show SMILES CCN(Cc1ccc(C)cc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.7,1.45,;4.67,.3,;3.17,.61,;2.68,2.07,;3.69,3.22,;3.2,4.68,;4.21,5.83,;5.75,5.52,;6.77,6.67,;6.23,4.05,;5.21,2.91,;2.15,-.54,;2.61,-1.99,;1.59,-3.15,;2.08,-4.6,;.1,-2.83,;-.39,-1.38,;-1.8,-.75,;-1.65,.79,;-2.8,1.8,;-.14,1.11,;.63,-.23,;-3.13,-1.52,;-3.13,-3.08,;-4.45,-3.85,;-5.79,-3.08,;-5.79,-1.54,;-4.45,-.75,;-4.46,.79,;-7.13,-3.85,;-8.46,-3.08,;-7.13,-5.39,)|
Show InChI InChI=1S/C26H32N6/c1-8-31(16-21-11-9-17(2)10-12-21)24-14-19(4)28-26-25(20(5)29-32(24)26)22-15-27-23(30(6)7)13-18(22)3/h9-15H,8,16H2,1-7H3
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2.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152179
PNG
(CHEMBL185705 | [3-(6-Dimethylamino-4-methyl-pyridi...)
Show SMILES CCN(Cc1cccc(C)c1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.79,1.42,;4.77,.27,;3.27,.6,;2.79,2.06,;3.81,3.22,;5.3,2.89,;6.34,4.04,;5.85,5.5,;4.33,5.81,;3.84,7.28,;3.32,4.67,;2.24,-.56,;2.72,-2.02,;1.68,-3.18,;2.18,-4.63,;.19,-2.86,;-.3,-1.4,;-1.7,-.78,;-1.54,.76,;-2.7,1.78,;-.04,1.09,;.73,-.26,;-3.03,-1.55,;-3.03,-3.09,;-4.36,-3.88,;-5.69,-3.09,;-5.69,-1.56,;-4.36,-.78,;-4.38,.76,;-7.03,-3.88,;-7.03,-5.42,;-8.36,-3.09,)|
Show InChI InChI=1S/C26H32N6/c1-8-31(16-21-11-9-10-17(2)12-21)24-14-19(4)28-26-25(20(5)29-32(24)26)22-15-27-23(30(6)7)13-18(22)3/h9-15H,8,16H2,1-7H3
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2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152178
PNG
(CHEMBL361509 | [3-(6-Dimethylamino-4-methyl-pyridi...)
Show SMILES CCN(Cc1ccccc1C)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.86,1.5,;4.84,.34,;3.33,.67,;2.85,2.13,;3.86,3.29,;5.37,2.96,;6.4,4.13,;5.91,5.58,;4.39,5.89,;3.37,4.74,;1.87,5.06,;2.3,-.49,;2.78,-1.94,;1.75,-3.09,;2.24,-4.56,;.26,-2.78,;-.23,-1.32,;-1.64,-.71,;-1.49,.84,;-2.64,1.86,;.02,1.16,;.79,-.17,;-2.97,-1.47,;-2.97,-3.02,;-4.3,-3.81,;-5.63,-3.02,;-5.63,-1.5,;-4.3,-.71,;-4.31,.84,;-6.98,-3.81,;-8.31,-3.02,;-6.98,-5.33,)|
Show InChI InChI=1S/C26H32N6/c1-8-31(16-21-12-10-9-11-17(21)2)24-14-19(4)28-26-25(20(5)29-32(24)26)22-15-27-23(30(6)7)13-18(22)3/h9-15H,8,16H2,1-7H3
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2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132961
PNG
(Butyl-ethyl-[2-methyl-8-(2,4,6-trimethyl-phenyl)-q...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(10.69,-5.05,;10.69,-3.51,;9.36,-2.74,;9.36,-1.2,;8.01,-.43,;8.01,1.11,;9.34,1.88,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
Show InChI InChI=1S/C25H32N2/c1-7-9-13-27(8-2)23-16-20(6)26-25-21(23)11-10-12-22(25)24-18(4)14-17(3)15-19(24)5/h10-12,14-16H,7-9,13H2,1-6H3
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2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132966
PNG
(CHEMBL114422 | Cyclopropylmethyl-[8-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(c(C)ccc12)-c1ccc(Cl)cc1Cl |(10.69,1.11,;9.34,1.88,;8.01,1.11,;8.01,-.43,;9.36,-1.2,;9.36,-2.74,;8.03,-3.51,;10.69,-3.51,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;1.35,1.86,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;1.35,-2.75,;.02,-3.52,;-1.32,-2.75,;-2.65,-3.52,;-1.32,-1.21,;.01,-.44,;.02,1.1,)|
Show InChI InChI=1S/C24H26Cl2N2/c1-4-11-28(14-17-6-7-17)22-12-16(3)27-24-20(22)9-5-15(2)23(24)19-10-8-18(25)13-21(19)26/h5,8-10,12-13,17H,4,6-7,11,14H2,1-3H3
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2.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152176
PNG
((3,4-Dichloro-benzyl)-[3-(6-dimethylamino-4-methyl...)
Show SMILES CCN(Cc1ccc(Cl)c(Cl)c1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.58,1.23,;4.56,.09,;3.06,.39,;2.57,1.84,;3.59,3,;5.09,2.7,;6.12,3.84,;5.63,5.31,;6.66,6.46,;4.11,5.6,;3.62,7.06,;3.1,4.47,;2.03,-.77,;2.5,-2.2,;1.48,-3.37,;1.97,-4.81,;-.02,-3.06,;-.51,-1.59,;-1.91,-.96,;-1.75,.56,;-2.91,1.58,;-.25,.9,;.52,-.45,;-3.24,-1.75,;-3.24,-3.3,;-4.57,-4.07,;-5.9,-3.3,;-5.9,-1.76,;-4.57,-.96,;-4.57,.56,;-7.23,-4.07,;-8.58,-3.3,;-7.23,-5.61,)|
Show InChI InChI=1S/C25H28Cl2N6/c1-7-32(14-18-8-9-20(26)21(27)12-18)23-11-16(3)29-25-24(17(4)30-33(23)25)19-13-28-22(31(5)6)10-15(19)2/h8-13H,7,14H2,1-6H3
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2.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50054248
PNG
(2,5-Dimethyl-N,N-dipropyl-N'-(2,4,6-trichloro-phen...)
Show SMILES CCCN(CCC)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C
Show InChI InChI=1S/C18H23Cl3N4/c1-5-7-25(8-6-2)18-11(3)17(22-12(4)23-18)24-16-14(20)9-13(19)10-15(16)21/h9-10H,5-8H2,1-4H3,(H,22,23,24)
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2.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CRF binding to human Corticotropin releasing factor receptor 1 tested at 6-12 doses


J Med Chem 39: 4358-60 (1996)


Article DOI: 10.1021/jm960149e
BindingDB Entry DOI: 10.7270/Q29022V6
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152169
PNG
(CHEMBL189821 | Cyclopropylmethyl-[3-(6-dimethylami...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(3.74,5.38,;4.2,3.92,;3.2,2.77,;3.69,1.31,;5.18,.99,;6.21,2.14,;6.51,3.65,;7.67,2.61,;2.66,.16,;3.13,-1.31,;2.11,-2.46,;2.6,-3.92,;.61,-2.13,;.12,-.68,;-1.27,-.05,;-1.12,1.46,;-2.28,2.49,;.38,1.8,;1.15,.47,;-2.6,-.84,;-2.6,-2.39,;-3.93,-3.15,;-5.26,-2.39,;-5.26,-.84,;-3.93,-.05,;-3.94,1.46,;-6.6,-3.15,;-7.93,-2.39,;-6.6,-4.69,)|
Show InChI InChI=1S/C23H32N6/c1-7-10-28(14-18-8-9-18)21-12-16(3)25-23-22(17(4)26-29(21)23)19-13-24-20(27(5)6)11-15(19)2/h11-13,18H,7-10,14H2,1-6H3
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2.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152173
PNG
(Butyl-[3-(6-dimethylamino-4-methyl-pyridin-3-yl)-2...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.11,6.53,;4.07,5.37,;4.56,3.91,;3.55,2.75,;4.02,1.3,;5.51,.97,;6.56,2.14,;2.99,.14,;3.46,-1.31,;2.45,-2.46,;2.94,-3.93,;.96,-2.15,;.45,-.68,;-.93,-.05,;-.79,1.46,;-1.95,2.49,;.71,1.79,;1.49,.46,;-2.28,-.85,;-2.28,-2.39,;-3.59,-3.16,;-4.94,-2.39,;-4.94,-.85,;-3.59,-.08,;-3.61,1.46,;-6.27,-3.16,;-6.27,-4.7,;-7.6,-2.39,)|
Show InChI InChI=1S/C22H32N6/c1-8-10-11-27(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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2.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152170
PNG
(Benzyl-butyl-[3-(6-dimethylamino-4-methyl-pyridin-...)
Show SMILES CCCCN(Cc1ccccc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(6.96,-2.52,;6.47,-1.06,;4.96,-.75,;4.48,.72,;2.97,1.03,;2.48,2.49,;3.51,3.66,;5.02,3.33,;6.03,4.47,;5.55,5.92,;4.04,6.25,;3.02,5.09,;1.95,-.12,;2.43,-1.59,;1.4,-2.73,;1.88,-4.2,;-.11,-2.41,;-.58,-.96,;-1.98,-.33,;-1.84,1.19,;-2.99,2.22,;-.33,1.52,;.44,.19,;-3.33,-1.12,;-3.33,-2.66,;-4.66,-3.43,;-5.99,-2.66,;-5.99,-1.12,;-4.66,-.35,;-4.66,1.19,;-7.32,-3.43,;-8.65,-2.66,;-7.32,-4.97,)|
Show InChI InChI=1S/C27H34N6/c1-7-8-14-32(18-22-12-10-9-11-13-22)25-16-20(3)29-27-26(21(4)30-33(25)27)23-17-28-24(31(5)6)15-19(23)2/h9-13,15-17H,7-8,14,18H2,1-6H3
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2.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132971
PNG
(Butyl-[2-methyl-8-(2,4,6-trimethyl-phenyl)-quinoli...)
Show SMILES CCCCN(CCC)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(12.02,-2.74,;10.69,-3.51,;9.36,-2.74,;9.36,-1.2,;8.01,-.43,;8.01,1.11,;9.34,1.88,;9.34,3.42,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
Show InChI InChI=1S/C26H34N2/c1-7-9-14-28(13-8-2)24-17-21(6)27-26-22(24)11-10-12-23(26)25-19(4)15-18(3)16-20(25)5/h10-12,15-17H,7-9,13-14H2,1-6H3
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132969
PNG
(CHEMBL431076 | [2-Methyl-8-(2,4,6-trimethyl-phenyl...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(10.69,-3.51,;9.36,-2.74,;9.36,-1.2,;8.01,-.43,;8.01,1.11,;9.34,1.88,;9.34,3.42,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
Show InChI InChI=1S/C25H32N2/c1-7-12-27(13-8-2)23-16-20(6)26-25-21(23)10-9-11-22(25)24-18(4)14-17(3)15-19(24)5/h9-11,14-16H,7-8,12-13H2,1-6H3
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Corticotropin releasing factor receptor 1-stimulated cAMP production


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132964
PNG
(Benzyl-[2-methyl-8-(2,4,6-trimethyl-phenyl)-quinol...)
Show SMILES CCCN(Cc1ccccc1)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(9.34,3.42,;9.34,1.88,;8.01,1.11,;8.01,-.43,;9.36,-1.2,;9.36,-2.74,;10.69,-3.5,;10.69,-5.04,;9.36,-5.82,;8.03,-5.05,;8.01,-3.51,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
Show InChI InChI=1S/C29H32N2/c1-6-15-31(19-24-11-8-7-9-12-24)27-18-23(5)30-29-25(27)13-10-14-26(29)28-21(3)16-20(2)17-22(28)4/h7-14,16-18H,6,15,19H2,1-5H3
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3.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50148889
PNG
(CHEMBL121896 | [3-(2,4-Dimethoxy-phenyl)-2,5-dimet...)
Show SMILES CCCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(12.65,-5.99,;12.6,-7.53,;13.92,-8.34,;13.89,-9.88,;15.19,-10.68,;15.15,-12.22,;16.47,-13.03,;16.45,-14.57,;12.53,-10.61,;12.48,-12.15,;11.11,-12.9,;11.06,-14.42,;9.8,-12.09,;9.85,-10.53,;8.75,-9.45,;9.41,-8.08,;8.68,-6.72,;10.95,-8.29,;11.22,-9.8,;7.23,-9.73,;6.72,-11.18,;5.21,-11.45,;4.21,-10.28,;2.69,-10.55,;2.18,-11.99,;4.72,-8.83,;6.24,-8.55,;6.77,-7.1,;5.79,-5.93,)|
Show InChI InChI=1S/C22H30N4O3/c1-7-10-25(11-12-27-4)20-13-15(2)23-22-21(16(3)24-26(20)22)18-9-8-17(28-5)14-19(18)29-6/h8-9,13-14H,7,10-12H2,1-6H3
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3.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152160
PNG
(CHEMBL186592 | [3-(6-Dimethylamino-4-methyl-pyridi...)
Show SMILES CCN(Cc1ccccc1F)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.85,1.49,;4.82,.34,;3.32,.67,;2.84,2.12,;3.85,3.28,;5.36,2.95,;6.38,4.12,;5.9,5.56,;4.38,5.87,;3.36,4.73,;1.86,5.05,;2.29,-.49,;2.77,-1.93,;1.75,-3.08,;2.24,-4.54,;.26,-2.77,;-.23,-1.31,;-1.63,-.71,;-1.48,.84,;-2.63,1.86,;.02,1.16,;.79,-.17,;-2.96,-1.47,;-2.96,-3.01,;-4.29,-3.8,;-5.62,-3.01,;-5.62,-1.49,;-4.29,-.71,;-4.3,.84,;-6.96,-3.8,;-6.96,-5.32,;-8.29,-3.01,)|
Show InChI InChI=1S/C25H29FN6/c1-7-31(15-19-10-8-9-11-21(19)26)23-13-17(3)28-25-24(18(4)29-32(23)25)20-14-27-22(30(5)6)12-16(20)2/h8-14H,7,15H2,1-6H3
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3.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
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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3.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132953
PNG
(Benzyl-[8-(2,4-dichloro-phenyl)-2-methyl-quinolin-...)
Show SMILES CCCN(Cc1ccccc1)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H24Cl2N2/c1-3-14-30(17-19-8-5-4-6-9-19)25-15-18(2)29-26-22(10-7-11-23(25)26)21-13-12-20(27)16-24(21)28/h4-13,15-16H,3,14,17H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50054253
PNG
(CHEMBL77716 | N-Cyclopropylmethyl-5-ethyl-2-methyl...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1CC
Show InChI InChI=1S/C20H25Cl3N4/c1-4-8-27(11-13-6-7-13)20-15(5-2)19(24-12(3)25-20)26-18-16(22)9-14(21)10-17(18)23/h9-10,13H,4-8,11H2,1-3H3,(H,24,25,26)
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3.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CRF binding to human Corticotropin releasing factor receptor 1 tested at 6-12 doses


J Med Chem 39: 4358-60 (1996)


Article DOI: 10.1021/jm960149e
BindingDB Entry DOI: 10.7270/Q29022V6
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152162
PNG
(CHEMBL188844 | CHEMBL2165204 | [3-(6-Dimethylamino...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(nc1)N(C)C
Show InChI InChI=1S/C21H30N6/c1-7-11-26(12-8-2)19-13-15(3)23-21-20(16(4)24-27(19)21)17-9-10-18(22-14-17)25(5)6/h9-10,13-14H,7-8,11-12H2,1-6H3
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4.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152185
PNG
(CHEMBL360851 | Dibutyl-[3-(6-dimethylamino-4-methy...)
Show SMILES CCCCN(CCCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(8.52,2.82,;7.49,1.66,;5.98,1.98,;4.95,.83,;3.45,1.14,;2.97,2.59,;3.97,3.75,;3.51,5.2,;4.53,6.39,;2.43,-.02,;2.9,-1.47,;1.87,-2.62,;2.36,-4.08,;.38,-2.31,;-.11,-.85,;-1.51,-.23,;-1.35,1.31,;-2.51,2.33,;.15,1.63,;.92,.3,;-2.84,-1,;-2.84,-2.55,;-4.17,-3.32,;-5.5,-2.55,;-5.5,-1.01,;-4.17,-.23,;-4.18,1.31,;-6.84,-3.32,;-6.84,-4.86,;-8.17,-2.55,)|
Show InChI InChI=1S/C24H36N6/c1-8-10-12-29(13-11-9-2)22-15-18(4)26-24-23(19(5)27-30(22)24)20-16-25-21(28(6)7)14-17(20)3/h14-16H,8-13H2,1-7H3
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4.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132967
PNG
(CHEMBL432607 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)ccc12)-c1ccc(Cl)cc1Cl |(10.69,1.11,;9.34,1.88,;8.01,1.11,;8.01,-.43,;9.36,-1.2,;9.36,-2.74,;10.69,-3.51,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;1.35,1.86,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;1.35,-2.75,;.02,-3.52,;-1.32,-2.75,;-2.65,-3.52,;-1.32,-1.21,;.01,-.44,;.02,1.1,)|
Show InChI InChI=1S/C23H26Cl2N2/c1-5-11-27(12-6-2)21-13-16(4)26-23-19(21)9-7-15(3)22(23)18-10-8-17(24)14-20(18)25/h7-10,13-14H,5-6,11-12H2,1-4H3
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4.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152186
PNG
(CHEMBL188609 | [3-(6-Dimethylamino-4-methyl-pyridi...)
Show SMILES CCCC(CCC)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(7.26,4.55,;6.23,3.41,;4.72,3.73,;3.7,2.56,;2.18,2.87,;1.69,4.34,;.19,4.67,;4.19,1.09,;3.16,-.05,;3.63,-1.5,;2.6,-2.67,;3.09,-4.12,;1.11,-2.35,;.62,-.9,;-.79,-.27,;-.63,1.28,;-1.79,2.28,;.87,1.61,;1.64,.25,;-2.12,-1.04,;-2.12,-2.6,;-3.45,-3.37,;-4.79,-2.6,;-4.79,-1.06,;-3.45,-.27,;-3.45,1.28,;-6.13,-3.37,;-7.47,-2.6,;-6.13,-4.92,)|
Show InChI InChI=1S/C23H34N6/c1-8-10-18(11-9-2)26-21-13-16(4)25-23-22(17(5)27-29(21)23)19-14-24-20(28(6)7)12-15(19)3/h12-14,18,26H,8-11H2,1-7H3
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4.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50204085
PNG
(CHEMBL3960606)
Show SMILES CC(C)(O)c1cn(c(Cc2ccccc2Cl)n1)-c1ccc(cc1)-c1ccc(CO)c(c1)S(C)(=O)=O
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...


ACS Med Chem Lett 7: 1207-1212 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132960
PNG
(4-Chloro-8-(2,4-dichloro-phenyl)-2-methyl-quinolin...)
Show SMILES Cc1cc(Cl)c2cccc(-c3ccc(Cl)cc3Cl)c2n1
Show InChI InChI=1S/C16H10Cl3N/c1-9-7-14(18)13-4-2-3-12(16(13)20-9)11-6-5-10(17)8-15(11)19/h2-8H,1H3
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5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152172
PNG
(Benzyl-[3-(6-dimethylamino-4-methyl-pyridin-3-yl)-...)
Show SMILES CCCN(Cc1ccccc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(6.68,-1.14,;5.18,-.82,;4.68,.63,;3.18,.95,;2.71,2.4,;3.73,3.56,;3.23,5.02,;4.25,6.16,;5.76,5.87,;6.25,4.39,;5.23,3.24,;2.15,-.21,;2.64,-1.66,;1.61,-2.81,;2.1,-4.27,;.12,-2.5,;-.37,-1.03,;-1.77,-.4,;-1.63,1.12,;-2.78,2.14,;-.12,1.45,;.65,.11,;-3.1,-1.19,;-3.1,-2.74,;-4.43,-3.51,;-5.76,-2.74,;-5.76,-1.2,;-4.43,-.4,;-4.45,1.12,;-7.09,-3.51,;-8.44,-2.74,;-7.09,-5.05,)|
Show InChI InChI=1S/C26H32N6/c1-7-13-31(17-21-11-9-8-10-12-21)24-15-19(3)28-26-25(20(4)29-32(24)26)22-16-27-23(30(5)6)14-18(22)2/h8-12,14-16H,7,13,17H2,1-6H3
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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]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152177
PNG
(CHEMBL187039 | [3-(6-Dimethylamino-2,4-dimethyl-py...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(4,5.65,;4.49,4.17,;3.47,3.03,;3.96,1.57,;5.47,1.26,;6.5,2.4,;8,2.09,;2.92,.41,;3.41,-1.04,;2.39,-2.2,;2.87,-3.65,;.89,-1.87,;.41,-.41,;-1,.2,;-.86,1.75,;-2.01,2.76,;.66,2.06,;1.43,.72,;-2.33,-.58,;-3.68,.19,;-3.69,1.75,;-5.02,-.58,;-5.02,-2.13,;-3.68,-2.91,;-2.33,-2.13,;-1,-2.91,;-6.36,-2.91,;-7.68,-2.13,;-6.36,-4.45,)|
Show InChI InChI=1S/C23H34N6/c1-9-11-28(12-10-2)20-14-16(4)24-23-22(18(6)26-29(20)23)21-15(3)13-19(27(7)8)25-17(21)5/h13-14H,9-12H2,1-8H3
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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]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152163
PNG
(CHEMBL444614 | [3-(6-Dimethylamino-4-methyl-pyridi...)
Show SMILES CCCN(CCC)c1c(F)c(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(3.8,5.58,;4.27,4.12,;3.26,2.97,;3.74,1.51,;5.25,1.2,;6.27,2.35,;7.77,2.04,;2.71,.36,;3.2,-1.1,;4.71,-1.41,;2.17,-2.24,;2.66,-3.7,;.68,-1.92,;.19,-.47,;-1.2,.16,;-1.06,1.69,;-2.21,2.7,;.45,2,;1.22,.67,;-2.53,-.63,;-2.53,-2.17,;-3.87,-2.94,;-5.2,-2.17,;-5.2,-.63,;-3.87,.14,;-3.88,1.69,;-6.54,-2.94,;-6.54,-4.48,;-7.87,-2.17,)|
Show InChI InChI=1S/C22H31FN6/c1-8-10-28(11-9-2)22-20(23)16(5)25-21-19(15(4)26-29(21)22)17-13-24-18(27(6)7)12-14(17)3/h12-13H,8-11H2,1-7H3
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5.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132952
PNG
(CHEMBL325430 | [8-(2,4-Dichloro-phenyl)-2-methyl-q...)
Show SMILES COCCN(CCOC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2O2/c1-15-13-21(26(9-11-27-2)10-12-28-3)19-6-4-5-18(22(19)25-15)17-8-7-16(23)14-20(17)24/h4-8,13-14H,9-12H2,1-3H3
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5.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132955
PNG
(Butyl-[8-(2,4-dichloro-phenyl)-2-methyl-quinolin-4...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2/c1-4-6-12-26(5-2)21-13-15(3)25-22-18(8-7-9-19(21)22)17-11-10-16(23)14-20(17)24/h7-11,13-14H,4-6,12H2,1-3H3
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5.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50204079
PNG
(CHEMBL3935187)
Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...


ACS Med Chem Lett 7: 1207-1212 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152180
PNG
((1-Benzyl-2-methoxy-ethyl)-[3-(6-dimethylamino-4-m...)
Show SMILES COCC(Cc1ccccc1)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(7.08,3.77,;6.05,2.61,;4.55,2.94,;3.53,1.77,;2.01,2.09,;1.52,3.55,;2.57,4.71,;2.08,6.15,;.57,6.46,;-.46,5.31,;.03,3.89,;4.01,.32,;2.99,-.84,;3.46,-2.29,;2.43,-3.44,;2.92,-4.9,;.94,-3.13,;.45,-1.68,;-.95,-1.05,;-.79,.49,;-1.95,1.49,;.71,.82,;1.48,-.52,;-2.28,-1.83,;-2.28,-3.37,;-3.61,-4.14,;-4.94,-3.37,;-4.94,-1.83,;-3.61,-1.05,;-3.62,.49,;-6.28,-4.14,;-6.28,-5.68,;-7.62,-3.37,)|
Show InChI InChI=1S/C26H32N6O/c1-17-12-23(31(4)5)27-15-22(17)25-19(3)30-32-24(13-18(2)28-26(25)32)29-21(16-33-6)14-20-10-8-7-9-11-20/h7-13,15,21,29H,14,16H2,1-6H3
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6.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132972
PNG
(Bis-(2-methoxy-ethyl)-[2-methyl-8-(2,4,6-trimethyl...)
Show SMILES COCCN(CCOC)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(10.67,4.19,;9.34,3.42,;9.34,1.88,;8.01,1.11,;8.01,-.43,;9.36,-1.2,;9.36,-2.74,;10.69,-3.51,;12.02,-2.74,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
Show InChI InChI=1S/C25H32N2O2/c1-17-14-18(2)24(19(3)15-17)22-9-7-8-21-23(16-20(4)26-25(21)22)27(10-12-28-5)11-13-29-6/h7-9,14-16H,10-13H2,1-6H3
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6.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152159
PNG
(CHEMBL359784 | [3-(4,6-Dimethyl-pyridin-3-yl)-2,5-...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(C)cc1C |(7.42,1.73,;5.91,2.05,;4.89,.9,;3.37,1.21,;2.9,2.66,;3.91,3.81,;3.44,5.28,;2.35,.05,;2.84,-1.41,;1.81,-2.57,;2.29,-4.03,;.3,-2.24,;-.18,-.78,;-1.58,-.15,;-1.44,1.39,;-2.59,2.4,;.08,1.7,;.85,.37,;-2.91,-.94,;-2.91,-2.5,;-4.25,-3.26,;-5.58,-2.5,;-6.93,-3.26,;-5.58,-.94,;-4.25,-.17,;-4.27,1.39,)|
Show InChI InChI=1S/C21H29N5/c1-7-9-25(10-8-2)19-12-16(5)23-21-20(17(6)24-26(19)21)18-13-22-15(4)11-14(18)3/h11-13H,7-10H2,1-6H3
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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]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152182
PNG
(CHEMBL184752 | [3-(6-Dimethylamino-4-methyl-pyridi...)
Show SMILES CCCN(c1ccccc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(7.25,-.89,;5.74,-.59,;5.25,.88,;3.76,1.18,;3.27,2.65,;4.29,3.79,;3.81,5.24,;2.31,5.56,;1.29,4.4,;1.76,2.95,;2.73,.04,;3.2,-1.42,;2.17,-2.57,;2.66,-4.03,;.68,-2.24,;.19,-.8,;-1.2,-.17,;-1.04,1.35,;-2.21,2.37,;.45,1.68,;1.22,.34,;-2.53,-.96,;-2.53,-2.5,;-3.86,-3.27,;-5.19,-2.5,;-5.19,-.96,;-3.86,-.17,;-3.86,1.35,;-6.52,-3.27,;-6.52,-4.81,;-7.84,-2.5,)|
Show InChI InChI=1S/C25H30N6/c1-7-13-30(20-11-9-8-10-12-20)23-15-18(3)27-25-24(19(4)28-31(23)25)21-16-26-22(29(5)6)14-17(21)2/h8-12,14-16H,7,13H2,1-6H3
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8.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132975
PNG
(CHEMBL114419 | [8-(4-Chloro-phenyl)-2-methyl-quino...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClN2/c1-4-13-25(14-5-2)21-15-16(3)24-22-19(7-6-8-20(21)22)17-9-11-18(23)12-10-17/h6-12,15H,4-5,13-14H2,1-3H3
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8.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50204078
PNG
(CHEMBL3926292)
Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analy...


ACS Med Chem Lett 7: 1207-1212 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132962
PNG
(CHEMBL115566 | [8-(4-Chloro-phenyl)-7-methoxy-2-me...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(OC)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClN2O/c1-5-13-26(14-6-2)20-15-16(3)25-23-19(20)11-12-21(27-4)22(23)17-7-9-18(24)10-8-17/h7-12,15H,5-6,13-14H2,1-4H3
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9n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50149669
PNG
(CHEMBL183148 | [2,5-Dimethyl-3-(3-methyl-5-nitro-p...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1C)[N+]([O-])=O |(7.55,-.03,;6.02,.19,;5.44,1.62,;3.89,1.8,;3.31,3.23,;4.24,4.46,;3.66,5.89,;2.96,.58,;3.54,-.84,;2.61,-2.06,;3.19,-3.47,;1.08,-1.86,;.5,-.43,;-.95,.09,;-.91,1.62,;-2.12,2.55,;.57,2.06,;1.44,.77,;-2.36,-.59,;-2.36,-2.15,;-3.69,-2.91,;-5.03,-2.15,;-5.03,-.59,;-3.69,.19,;-3.69,1.72,;-6.36,-2.91,;-7.72,-2.15,;-6.36,-4.47,)|
Show InChI InChI=1S/C20H26N6O2/c1-6-8-24(9-7-2)17-11-14(4)22-20-18(15(5)23-25(17)20)19-13(3)10-16(12-21-19)26(27)28/h10-12H,6-9H2,1-5H3
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9.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152165
PNG
(CHEMBL186992 | [3-(6-Dimethylamino-4-methyl-pyridi...)
Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(6.49,3.73,;4.99,4.06,;3.97,2.89,;2.46,3.21,;1.97,4.67,;4.44,1.42,;3.43,.28,;3.9,-1.17,;2.88,-2.32,;3.37,-3.78,;1.38,-2.01,;.89,-.56,;-.51,.07,;-.35,1.61,;-1.51,2.61,;1.15,1.94,;1.92,.6,;-1.84,-.71,;-1.84,-2.25,;-3.17,-3.02,;-4.5,-2.25,;-4.5,-.71,;-3.17,.07,;-3.17,1.61,;-5.83,-3.02,;-7.18,-2.25,;-5.83,-4.56,)|
Show InChI InChI=1S/C21H30N6/c1-8-16(9-2)24-19-11-14(4)23-21-20(15(5)25-27(19)21)17-12-22-18(26(6)7)10-13(17)3/h10-12,16,24H,8-9H2,1-7H3
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9.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50204077
PNG
(CHEMBL3944154)
Show SMILES CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analys...


ACS Med Chem Lett 7: 1207-1212 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00234
BindingDB Entry DOI: 10.7270/Q2V98B13
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50149672
PNG
(CHEMBL184850 | [3-(5-Dimethylamino-3-methyl-pyridi...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1C)N(C)C |(3.65,5.88,;4.24,4.45,;3.3,3.22,;3.9,1.8,;5.42,1.61,;6.01,.19,;7.55,-.03,;2.95,.58,;3.54,-.84,;2.6,-2.06,;3.18,-3.47,;1.08,-1.85,;.5,-.43,;-.95,.09,;-.91,1.61,;-2.13,2.55,;.57,2.06,;1.45,.77,;-2.34,-.59,;-2.34,-2.15,;-3.68,-2.9,;-5.01,-2.15,;-5.01,-.59,;-3.68,.19,;-3.69,1.72,;-6.35,-2.9,;-7.69,-2.15,;-6.35,-4.46,)|
Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)19-13-16(4)24-22-20(17(5)25-28(19)22)21-15(3)12-18(14-23-21)26(6)7/h12-14H,8-11H2,1-7H3
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10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
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