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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50008732   
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))
BDBM50076602
PNG
(CHEMBL368772 | [9-(2-Bromo-4-isopropyl-phenyl)-8-c...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(Cl)nc12)-c1ccc(cc1Br)C(C)C |(-1.35,.74,;-1.35,-.8,;.01,-1.57,;.01,-3.11,;1.36,-3.87,;2.69,-3.1,;2.69,-1.56,;1.36,-5.41,;.03,-6.18,;.03,-7.73,;-1.3,-8.5,;1.36,-8.5,;2.71,-7.71,;4.18,-8.17,;5.07,-6.94,;6.61,-6.93,;4.16,-5.69,;2.69,-6.18,;4.65,-9.64,;3.62,-10.79,;4.11,-12.26,;5.63,-12.56,;6.66,-11.41,;6.17,-9.94,;7.26,-8.85,;6.1,-14.02,;5.09,-15.17,;7.61,-14.33,)|
Show InChI InChI=1S/C21H27BrClN5/c1-6-8-11-27(7-2)19-18-20(25-14(5)24-19)28(21(23)26-18)17-10-9-15(13(3)4)12-16(17)22/h9-10,12-13H,6-8,11H2,1-5H3
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1.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076613
PNG
(CHEMBL367253 | [9-(2-Bromo-4-isopropyl-phenyl)-8-m...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(OC)nc12)-c1ccc(cc1Br)C(C)C |(5.24,-4.86,;5.24,-6.4,;6.57,-7.17,;6.59,-8.71,;7.92,-9.48,;9.28,-8.71,;9.25,-7.17,;7.95,-11.02,;6.61,-11.79,;6.61,-13.33,;5.26,-14.1,;7.95,-14.1,;9.28,-13.33,;10.75,-13.8,;11.66,-12.54,;13.2,-12.54,;13.74,-13.32,;10.75,-11.3,;9.28,-11.79,;11.24,-15.24,;10.21,-16.39,;10.7,-17.86,;12.21,-18.16,;13.24,-17.02,;12.75,-15.55,;13.83,-14.45,;12.7,-19.63,;11.67,-20.78,;14.2,-19.94,)|
Show InChI InChI=1S/C22H30BrN5O/c1-7-9-12-27(8-2)20-19-21(25-15(5)24-20)28(22(26-19)29-6)18-11-10-16(14(3)4)13-17(18)23/h10-11,13-14H,7-9,12H2,1-6H3
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1.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076608
PNG
(7-(Butyl-ethyl-amino)-1,5-dimethyl-3-phenyl-1,3-di...)
Show SMILES CCCCN(CC)c1cc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(-6.64,.67,;-6.63,-.87,;-5.3,-1.64,;-5.29,-3.18,;-3.94,-3.95,;-2.61,-3.18,;-2.61,-1.64,;-3.94,-5.49,;-5.27,-6.26,;-5.27,-7.8,;-6.6,-8.57,;-3.94,-8.57,;-2.59,-7.8,;-1.12,-8.27,;-.65,-9.71,;-1.67,-10.86,;-1.18,-12.33,;.33,-12.63,;1.36,-11.49,;.87,-10.02,;1.96,-8.92,;.82,-14.1,;2.33,-14.4,;-.2,-15.24,;-.21,-7.01,;1.33,-7.01,;-1.14,-5.77,;-.67,-4.3,;-2.59,-6.26,)|
Show InChI InChI=1S/C23H31BrN4O/c1-7-9-12-27(8-2)20-13-16(5)25-22-21(20)26(6)23(29)28(22)19-11-10-17(15(3)4)14-18(19)24/h10-11,13-15H,7-9,12H2,1-6H3
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3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076609
PNG
(6-(Butyl-ethyl-amino)-2,7-dimethyl-9-(2,4,6-trimet...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)n(C)c12 |(5.81,1.7,;5.81,.16,;4.48,-.61,;4.5,-2.15,;5.84,-2.91,;7.18,-2.14,;7.17,-.61,;5.85,-4.45,;4.52,-5.22,;4.52,-6.77,;3.18,-7.54,;5.85,-7.54,;7.19,-6.76,;8.66,-7.23,;9.15,-8.68,;10.64,-8.98,;11.66,-7.82,;11.13,-10.44,;10.1,-11.59,;10.59,-13.06,;8.6,-11.29,;8.12,-9.82,;6.61,-9.51,;9.57,-5.98,;11.11,-5.97,;8.65,-4.73,;9.12,-3.27,;7.19,-5.22,)|
Show InChI InChI=1S/C22H31N5O/c1-8-10-11-26(9-2)20-19-21(24-17(6)23-20)27(22(28)25(19)7)18-15(4)12-14(3)13-16(18)5/h12-13H,8-11H2,1-7H3
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4.40n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076619
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-(butyl-ethyl-amin...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(4.5,1.47,;3.17,2.22,;1.83,1.45,;.48,2.21,;-.83,1.44,;-2.18,2.21,;-3.51,1.42,;-.83,-.1,;-2.16,-.86,;-2.16,-2.41,;-3.5,-3.18,;-.83,-3.18,;.51,-2.41,;1.98,-2.86,;2.47,-4.33,;1.44,-5.45,;1.95,-6.94,;3.46,-7.22,;4.48,-6.07,;3.98,-4.61,;5,-3.46,;3.94,-8.7,;2.95,-9.85,;5.45,-8.99,;2.88,-1.61,;4.42,-1.59,;1.96,-.38,;2.71,.96,;.5,-.86,)|
Show InChI InChI=1S/C22H30BrN5O/c1-7-9-12-27(8-2)20-19-21(25-15(5)24-20)28(22(29)26(19)6)18-11-10-16(14(3)4)13-17(18)23/h10-11,13-14H,7-9,12H2,1-6H3
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5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076616
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-(cyclopropylmethy...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(8.08,-1.62,;6.75,-2.41,;6.77,-3.95,;5.44,-4.72,;4.09,-3.95,;2.76,-4.72,;1.24,-4.74,;2.01,-6.07,;5.44,-6.26,;4.11,-7.03,;4.11,-8.57,;2.78,-9.34,;5.44,-9.34,;6.8,-8.57,;8.27,-9.04,;8.75,-10.5,;7.72,-11.64,;8.2,-13.1,;9.71,-13.42,;10.74,-12.26,;10.25,-10.8,;11.27,-9.64,;10.2,-14.87,;9.18,-16.03,;11.71,-15.19,;9.17,-7.78,;10.71,-7.78,;8.24,-6.54,;8.71,-5.07,;6.79,-7.03,)|
Show InChI InChI=1S/C23H30BrN5O/c1-6-11-28(13-16-7-8-16)21-20-22(26-15(4)25-21)29(23(30)27(20)5)19-10-9-17(14(2)3)12-18(19)24/h9-10,12,14,16H,6-8,11,13H2,1-5H3
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5.70n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076624
PNG
(6-(Cyclopropylmethyl-propyl-amino)-2,7-dimethyl-9-...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)n(C)c12 |(3.16,.16,;4.49,-.61,;4.5,-2.15,;5.84,-2.92,;7.19,-2.15,;7.17,-.61,;7.94,.72,;6.4,.72,;5.86,-4.46,;4.53,-5.23,;4.53,-6.77,;3.18,-7.54,;5.86,-7.54,;7.19,-6.77,;8.66,-7.23,;9.15,-8.69,;10.65,-8.99,;11.67,-7.82,;11.14,-10.45,;10.11,-11.6,;10.6,-13.07,;8.61,-11.3,;8.13,-9.83,;6.61,-9.52,;9.57,-5.98,;11.11,-5.97,;8.66,-4.74,;9.12,-3.27,;7.19,-5.23,)|
Show InChI InChI=1S/C23H31N5O/c1-7-10-27(13-18-8-9-18)21-20-22(25-17(5)24-21)28(23(29)26(20)6)19-15(3)11-14(2)12-16(19)4/h11-12,18H,7-10,13H2,1-6H3
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6.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076615
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-dipropylamino-2,7...)
Show SMILES CCCN(CCC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(2.75,-1.64,;4.09,-2.41,;4.09,-3.95,;5.44,-4.72,;6.77,-3.95,;6.75,-2.41,;8.08,-1.62,;5.44,-6.26,;4.11,-7.03,;4.11,-8.57,;2.78,-9.34,;5.44,-9.34,;6.8,-8.57,;8.27,-9.04,;8.75,-10.5,;7.72,-11.64,;8.2,-13.1,;9.71,-13.42,;10.74,-12.26,;10.25,-10.8,;11.27,-9.64,;10.2,-14.87,;11.71,-15.19,;9.18,-16.03,;9.17,-7.78,;10.71,-7.78,;8.24,-6.54,;8.71,-5.07,;6.79,-7.03,)|
Show InChI InChI=1S/C22H30BrN5O/c1-7-11-27(12-8-2)20-19-21(25-15(5)24-20)28(22(29)26(19)6)18-10-9-16(14(3)4)13-17(18)23/h9-10,13-14H,7-8,11-12H2,1-6H3
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7.60n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076623
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-[cyclopropylmethy...)
Show SMILES COCCN(CC1CC1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(.52,2.98,;.52,1.44,;1.87,.67,;1.87,-.87,;3.22,-1.63,;4.56,-.86,;4.55,.68,;5.32,2.01,;3.78,2.01,;3.23,-3.17,;1.9,-3.94,;1.9,-5.49,;.56,-6.26,;3.23,-6.26,;4.56,-5.48,;6.04,-5.95,;6.52,-7.4,;5.49,-8.55,;5.98,-10.02,;7.49,-10.32,;8.52,-9.17,;8.03,-7.71,;9.04,-6.56,;7.98,-11.79,;9.48,-12.09,;6.95,-12.93,;6.94,-4.7,;8.48,-4.69,;6.03,-3.45,;6.49,-1.99,;4.56,-3.94,)|
Show InChI InChI=1S/C23H30BrN5O2/c1-14(2)17-8-9-19(18(24)12-17)29-22-20(27(4)23(29)30)21(25-15(3)26-22)28(10-11-31-5)13-16-6-7-16/h8-9,12,14,16H,6-7,10-11,13H2,1-5H3
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12n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076620
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-(1-ethyl-pentylam...)
Show SMILES CCCCC(CC)Nc1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(2.57,2.29,;3.9,1.53,;3.92,-.01,;5.26,-.78,;5.26,-2.32,;3.93,-3.09,;2.6,-2.33,;6.61,-3.09,;6.61,-4.63,;5.28,-5.4,;5.28,-6.94,;3.95,-7.71,;6.61,-7.71,;7.96,-6.94,;9.43,-7.4,;9.92,-8.87,;8.89,-10.01,;9.36,-11.46,;10.88,-11.78,;11.91,-10.62,;11.42,-9.17,;12.44,-8.01,;11.37,-13.24,;12.88,-13.56,;10.34,-14.4,;10.34,-6.14,;11.88,-6.14,;9.41,-4.91,;9.88,-3.44,;7.96,-5.4,)|
Show InChI InChI=1S/C23H32BrN5O/c1-7-9-10-17(8-2)27-21-20-22(26-15(5)25-21)29(23(30)28(20)6)19-12-11-16(14(3)4)13-18(19)24/h11-14,17H,7-10H2,1-6H3,(H,25,26,27)
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15n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076604
PNG
(6-(1-Ethyl-pentylamino)-2,7-dimethyl-9-(2,4,6-trim...)
Show SMILES CCCCC(CC)Nc1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)n(C)c12 |(1.82,2.47,;3.15,1.7,;3.16,.16,;4.49,-.61,;4.5,-2.15,;3.17,-2.92,;1.83,-2.15,;5.84,-2.92,;5.86,-4.46,;4.53,-5.23,;4.53,-6.77,;3.18,-7.54,;5.86,-7.54,;7.19,-6.77,;8.66,-7.23,;9.15,-8.69,;10.65,-8.99,;11.67,-7.82,;11.14,-10.45,;10.11,-11.6,;10.6,-13.07,;8.61,-11.3,;8.13,-9.83,;6.61,-9.52,;9.57,-5.98,;11.11,-5.97,;8.66,-4.74,;9.12,-3.27,;7.19,-5.23,)|
Show InChI InChI=1S/C23H33N5O/c1-8-10-11-18(9-2)26-21-20-22(25-17(6)24-21)28(23(29)27(20)7)19-15(4)12-14(3)13-16(19)5/h12-13,18H,8-11H2,1-7H3,(H,24,25,26)
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17n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076614
PNG
(6-[Benzyl-(2-methoxy-ethyl)-amino]-9-(2-bromo-4-is...)
Show SMILES COCCN(Cc1ccccc1)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(.52,2.98,;.52,1.44,;1.87,.67,;1.87,-.87,;3.22,-1.63,;4.56,-.86,;4.55,.68,;3.2,1.44,;3.2,2.98,;4.53,3.75,;5.88,2.99,;5.88,1.45,;3.23,-3.17,;1.9,-3.94,;1.9,-5.49,;.56,-6.26,;3.23,-6.26,;4.56,-5.48,;6.04,-5.95,;6.52,-7.4,;5.49,-8.55,;5.98,-10.02,;7.49,-10.32,;8.52,-9.17,;8.03,-7.71,;9.04,-6.56,;7.98,-11.79,;9.48,-12.09,;6.95,-12.93,;6.94,-4.7,;8.48,-4.69,;6.03,-3.45,;6.49,-1.99,;4.56,-3.94,)|
Show InChI InChI=1S/C26H30BrN5O2/c1-17(2)20-11-12-22(21(27)15-20)32-25-23(30(4)26(32)33)24(28-18(3)29-25)31(13-14-34-5)16-19-9-7-6-8-10-19/h6-12,15,17H,13-14,16H2,1-5H3
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26n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076603
PNG
(CHEMBL178272 | [9-(2-Bromo-4-isopropyl-phenyl)-8-c...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(OCC3CC3)nc12)-c1ccc(cc1Br)C(C)C |(4.18,-.66,;4.18,-2.2,;5.51,-2.97,;5.54,-4.51,;6.87,-5.27,;8.22,-4.5,;8.2,-2.96,;6.89,-6.81,;5.56,-7.58,;5.56,-9.13,;4.21,-9.9,;6.89,-9.9,;8.22,-9.12,;9.69,-9.59,;10.6,-8.34,;12.14,-8.33,;12.91,-9.66,;14.45,-9.64,;15.8,-10.41,;15.78,-8.87,;9.69,-7.09,;8.22,-7.58,;10.18,-11.04,;9.15,-12.19,;9.64,-13.66,;11.15,-13.96,;12.18,-12.81,;11.69,-11.35,;12.77,-10.25,;11.64,-15.42,;13.14,-15.73,;10.62,-16.57,)|
Show InChI InChI=1S/C25H34BrN5O/c1-6-8-13-30(7-2)23-22-24(28-17(5)27-23)31(25(29-22)32-15-18-9-10-18)21-12-11-19(16(3)4)14-20(21)26/h11-12,14,16,18H,6-10,13,15H2,1-5H3
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31n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076607
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-(1-methoxymethyl-...)
Show SMILES CCC(COC)Nc1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(2.12,-2.45,;3.46,-3.21,;4.79,-2.44,;4.79,-.9,;3.44,-.12,;3.44,1.42,;6.14,-3.21,;6.15,-4.75,;4.82,-5.52,;4.82,-7.06,;3.48,-7.83,;6.15,-7.83,;7.49,-7.06,;8.97,-7.53,;9.44,-8.99,;8.41,-10.13,;8.9,-11.59,;10.41,-11.91,;11.44,-10.75,;10.95,-9.29,;11.96,-8.13,;10.9,-13.36,;12.41,-13.68,;9.88,-14.52,;9.86,-6.27,;11.4,-6.27,;8.95,-5.03,;9.42,-3.56,;7.48,-5.52,)|
Show InChI InChI=1S/C21H28BrN5O2/c1-7-15(11-29-6)25-19-18-20(24-13(4)23-19)27(21(28)26(18)5)17-9-8-14(12(2)3)10-16(17)22/h8-10,12,15H,7,11H2,1-6H3,(H,23,24,25)
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43n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076625
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-[ethyl-(2-methoxy...)
Show SMILES CCN(CCOC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(4.55,.68,;4.56,-.86,;3.22,-1.63,;1.87,-.87,;1.87,.67,;.52,1.44,;.52,2.98,;3.23,-3.17,;1.9,-3.94,;1.9,-5.49,;.56,-6.26,;3.23,-6.26,;4.56,-5.48,;6.04,-5.95,;6.52,-7.4,;5.49,-8.55,;5.98,-10.02,;7.49,-10.32,;8.52,-9.17,;8.03,-7.71,;9.04,-6.56,;7.98,-11.79,;9.48,-12.09,;6.95,-12.93,;6.94,-4.7,;8.48,-4.69,;6.03,-3.45,;6.49,-1.99,;4.56,-3.94,)|
Show InChI InChI=1S/C21H28BrN5O2/c1-7-26(10-11-29-6)19-18-20(24-14(4)23-19)27(21(28)25(18)5)17-9-8-15(13(2)3)12-16(17)22/h8-9,12-13H,7,10-11H2,1-6H3
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48n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076618
PNG
(6-(Cyclopropylmethyl-propyl-amino)-2,7-dimethyl-9-...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc2n(-c3c(C)cc(C)nc3C)c(=O)n(C)c12 |(9.04,.76,;7.71,-.01,;7.72,-1.55,;6.38,-2.32,;5.04,-1.56,;5.02,-.02,;5.79,1.31,;4.25,1.3,;6.39,-3.86,;5.06,-4.64,;5.06,-6.18,;3.72,-6.95,;6.39,-6.95,;7.73,-6.17,;9.2,-6.63,;9.69,-8.1,;8.66,-9.25,;7.15,-8.92,;9.15,-10.71,;10.65,-11.02,;11.14,-12.48,;11.67,-9.85,;11.18,-8.41,;12.21,-7.24,;10.11,-5.39,;11.65,-5.37,;9.19,-4.14,;9.66,-2.68,;7.73,-4.63,)|
Show InChI InChI=1S/C22H30N6O/c1-7-10-27(12-17-8-9-17)20-19-21(25-16(5)24-20)28(22(29)26(19)6)18-13(2)11-14(3)23-15(18)4/h11,17H,7-10,12H2,1-6H3
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113n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076611
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-(butyl-ethyl-amin...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(CC3CC3)c12 |(4.67,-.63,;4.67,-2.17,;6.02,-2.94,;6.03,-4.48,;7.37,-5.23,;8.69,-4.46,;8.69,-2.92,;7.38,-6.77,;6.05,-7.56,;6.05,-9.1,;4.71,-9.87,;7.38,-9.87,;8.73,-9.08,;10.2,-9.55,;10.67,-11.02,;9.64,-12.16,;10.13,-13.63,;11.64,-13.94,;12.67,-12.77,;12.18,-11.32,;13.19,-10.16,;12.13,-15.4,;11.11,-16.55,;13.63,-15.71,;11.09,-8.29,;12.63,-8.29,;10.18,-7.05,;10.65,-5.6,;12.14,-5.26,;13.61,-5.72,;13.28,-4.22,;8.71,-7.54,)|
Show InChI InChI=1S/C25H34BrN5O/c1-6-8-13-29(7-2)23-22-24(28-17(5)27-23)31(25(32)30(22)15-18-9-10-18)21-12-11-19(16(3)4)14-20(21)26/h11-12,14,16,18H,6-10,13,15H2,1-5H3
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117n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076610
PNG
(6-(Butyl-ethyl-amino)-2,7-dimethyl-9-(2,4,6-trimet...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(-c3c(C)cc(C)nc3C)c(=O)n(C)c12 |(8.8,2.19,;8.8,.65,;7.47,-.12,;7.49,-1.66,;6.14,-2.43,;4.81,-1.68,;4.79,-.14,;6.16,-3.97,;4.83,-4.76,;4.83,-6.3,;3.48,-7.07,;6.16,-7.07,;7.5,-6.28,;8.97,-6.75,;9.46,-8.22,;8.43,-9.36,;6.91,-9.04,;8.91,-10.83,;10.41,-11.14,;10.9,-12.6,;11.44,-9.97,;10.95,-8.52,;11.98,-7.36,;9.88,-5.51,;11.42,-5.49,;8.96,-4.25,;9.43,-2.8,;7.5,-4.74,)|
Show InChI InChI=1S/C21H30N6O/c1-8-10-11-26(9-2)19-18-20(24-16(6)23-19)27(21(28)25(18)7)17-13(3)12-14(4)22-15(17)5/h12H,8-11H2,1-7H3
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124n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076606
PNG
(6-[Bis-(2-methoxy-ethyl)-amino]-9-(2-bromo-4-isopr...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(2.57,2.28,;2.57,.74,;3.9,-.03,;3.92,-1.57,;5.26,-2.33,;6.6,-1.56,;6.59,-.02,;7.92,.76,;7.92,2.3,;5.27,-3.87,;3.94,-4.64,;3.94,-6.19,;2.6,-6.96,;5.27,-6.96,;6.61,-6.18,;8.08,-6.65,;8.57,-8.1,;7.54,-9.25,;8.03,-10.72,;9.53,-11.02,;10.55,-9.87,;10.06,-8.41,;11.09,-7.26,;10.02,-12.49,;8.99,-13.63,;11.53,-12.79,;8.99,-5.4,;10.53,-5.39,;8.07,-4.15,;8.54,-2.69,;6.61,-4.64,)|
Show InChI InChI=1S/C22H30BrN5O3/c1-14(2)16-7-8-18(17(23)13-16)28-21-19(26(4)22(28)29)20(24-15(3)25-21)27(9-11-30-5)10-12-31-6/h7-8,13-14H,9-12H2,1-6H3
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130n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076622
PNG
(6-Dipropylamino-2,7-dimethyl-9-(2,4,6-trimethyl-py...)
Show SMILES CCCN(CCC)c1nc(C)nc2n(-c3c(C)cc(C)nc3C)c(=O)n(C)c12 |(11.67,.18,;10.34,-.59,;10.34,-2.13,;9.01,-2.9,;7.66,-2.15,;7.65,-.61,;6.31,.16,;9.01,-4.44,;7.68,-5.23,;7.68,-6.77,;6.35,-7.54,;9.01,-7.54,;10.36,-6.75,;11.83,-7.22,;12.3,-8.69,;11.28,-9.83,;9.78,-9.5,;11.77,-11.29,;13.28,-11.6,;13.77,-13.07,;14.3,-10.44,;13.81,-8.99,;14.82,-7.82,;12.72,-5.97,;14.26,-5.96,;11.81,-4.72,;12.28,-3.27,;10.34,-5.21,)|
Show InChI InChI=1S/C21H30N6O/c1-8-10-26(11-9-2)19-18-20(24-16(6)23-19)27(21(28)25(18)7)17-13(3)12-14(4)22-15(17)5/h12H,8-11H2,1-7H3
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259n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076626
PNG
(CHEMBL355803 | [9-(2-Bromo-4-isopropyl-phenyl)-2-m...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(nc12)N1CCOCC1)-c1ccc(cc1Br)C(C)C |(7.36,-.85,;7.36,-2.36,;8.69,-3.16,;8.71,-4.7,;10.04,-5.44,;11.39,-4.67,;11.37,-3.13,;10.06,-6.98,;8.73,-7.78,;8.73,-9.32,;7.38,-10.09,;10.06,-10.09,;11.39,-9.29,;12.86,-9.76,;13.77,-8.52,;12.86,-7.26,;11.39,-7.75,;15.31,-8.5,;16.08,-9.83,;17.62,-9.83,;18.39,-8.5,;17.6,-7.17,;16.06,-7.17,;13.35,-11.23,;14.85,-11.53,;15.34,-12.98,;14.31,-14.15,;12.82,-13.84,;12.33,-12.37,;10.83,-12.06,;14.8,-15.61,;16.31,-15.92,;13.77,-16.76,)|
Show InChI InChI=1S/C25H35BrN6O/c1-6-8-11-30(7-2)23-22-24(28-18(5)27-23)32(25(29-22)31-12-14-33-15-13-31)21-10-9-19(17(3)4)16-20(21)26/h9-10,16-17H,6-8,11-15H2,1-5H3
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345n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076617
PNG
(4-(Butyl-ethyl-amino)-3,6-dimethyl-1-phenyl-1,3-di...)
Show SMILES CCCCN(CC)c1nc(C)cc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(-6.53,1.54,;-6.53,,;-5.2,-.77,;-5.18,-2.31,;-3.84,-3.08,;-2.49,-2.31,;-2.51,-.77,;-3.82,-4.62,;-5.15,-5.39,;-5.15,-6.93,;-6.51,-7.7,;-3.82,-7.7,;-2.49,-6.93,;-1.02,-7.4,;-.53,-8.86,;-1.56,-10,;-1.07,-11.47,;.44,-11.77,;1.47,-10.63,;.98,-9.16,;2.06,-8.06,;.92,-13.24,;2.44,-13.55,;-.09,-14.39,;-.11,-6.14,;1.43,-6.14,;-1.02,-4.9,;-.55,-3.43,;-2.49,-5.39,)|
Show InChI InChI=1S/C23H31BrN4O/c1-7-9-12-27(8-2)22-21-20(13-16(5)25-22)28(23(29)26(21)6)19-11-10-17(15(3)4)14-18(19)24/h10-11,13-15H,7-9,12H2,1-6H3
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463n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076621
PNG
(6-[Bis-(2-methoxy-ethyl)-amino]-2,7-dimethyl-9-(2,...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)n(C)c12 |(3.04,1.21,;3.06,-.33,;4.39,-1.1,;4.39,-2.64,;5.75,-3.39,;7.08,-2.62,;7.08,-1.08,;8.41,-.31,;8.4,1.23,;5.75,-4.93,;4.42,-5.72,;4.42,-7.26,;3.09,-8.03,;5.75,-8.03,;7.1,-7.24,;8.57,-7.71,;9.05,-9.18,;10.55,-9.48,;11.57,-8.31,;11.04,-10.93,;10.02,-12.09,;10.51,-13.56,;8.5,-11.78,;8.03,-10.32,;6.52,-9.99,;9.47,-6.46,;11.01,-6.45,;8.55,-5.21,;9.01,-3.76,;7.09,-5.7,)|
Show InChI InChI=1S/C22H31N5O3/c1-14-12-15(2)18(16(3)13-14)27-21-19(25(5)22(27)28)20(23-17(4)24-21)26(8-10-29-6)9-11-30-7/h12-13H,8-11H2,1-7H3
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698n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076605
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-(butyl-ethyl-amin...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)[nH]c12 |(4.67,-.63,;4.67,-2.17,;6.02,-2.94,;6.03,-4.48,;7.37,-5.23,;8.69,-4.46,;8.69,-2.92,;7.38,-6.77,;6.05,-7.56,;6.05,-9.1,;4.71,-9.87,;7.38,-9.87,;8.73,-9.08,;10.2,-9.55,;10.67,-11.02,;9.64,-12.16,;10.13,-13.63,;11.64,-13.94,;12.67,-12.77,;12.18,-11.32,;13.19,-10.16,;12.13,-15.4,;11.11,-16.55,;13.63,-15.71,;11.09,-8.29,;12.63,-8.29,;10.18,-7.05,;8.71,-7.54,)|
Show InChI InChI=1S/C21H28BrN5O/c1-6-8-11-26(7-2)19-18-20(24-14(5)23-19)27(21(28)25-18)17-10-9-15(13(3)4)12-16(17)22/h9-10,12-13H,6-8,11H2,1-5H3,(H,25,28)
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890n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076612
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-(2-methoxy-ethyla...)
Show SMILES COCCNc1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(2.57,2.28,;2.57,.74,;3.9,-.03,;3.92,-1.57,;5.26,-2.33,;5.27,-3.87,;3.94,-4.64,;3.94,-6.19,;2.6,-6.96,;5.27,-6.96,;6.61,-6.18,;8.08,-6.65,;8.57,-8.1,;7.54,-9.25,;8.03,-10.72,;9.53,-11.02,;10.55,-9.87,;10.06,-8.41,;11.09,-7.26,;10.02,-12.49,;8.99,-13.63,;11.53,-12.79,;8.99,-5.4,;10.53,-5.39,;8.07,-4.15,;8.54,-2.69,;6.61,-4.64,)|
Show InChI InChI=1S/C19H24BrN5O2/c1-11(2)13-6-7-15(14(20)10-13)25-18-16(24(4)19(25)26)17(21-8-9-27-5)22-12(3)23-18/h6-7,10-11H,8-9H2,1-5H3,(H,21,22,23)
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1.18E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair