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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50016477   
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))
BDBM50169540
PNG
(CHEMBL186479 | Cyclopropylmethyl-(2,2,2-trifluoro-...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CC3CC3)CC(F)(F)F)c(nc12)C(F)(F)F |(8.33,-9.37,;7.25,-8.27,;5.76,-8.66,;4.67,-7.56,;3.19,-7.93,;5.09,-6.08,;6.58,-5.7,;6.98,-4.2,;7.65,-6.78,;4.02,-5,;4.27,-3.47,;5.57,-2.64,;5.5,-1.1,;4.13,-.4,;2.83,-1.22,;2.9,-2.76,;1.8,-3.83,;.26,-4.06,;-.81,-2.97,;-.4,-1.48,;1.08,-1.1,;1.49,.39,;2.59,1.46,;1.1,1.86,;-1.48,-.38,;-1.07,1.11,;-.69,2.46,;.4,1.76,;-2,2.42,;.01,-5.59,;1.38,-6.3,;2.49,-5.22,;-1.37,-6.28,;-2.84,-5.62,;-1.72,-7.84,;-2.63,-6.91,)|
Show InChI InChI=1S/C26H26F6N4/c1-15-10-16(2)22(17(3)11-15)36-20-7-5-4-6-19(20)35-21(23(26(30,31)32)33-24(35)36)13-34(12-18-8-9-18)14-25(27,28)29/h4-7,10-11,18H,8-9,12-14H2,1-3H3
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7.10n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169535
PNG
(CHEMBL363592 | Dipropyl-[2-trifluoromethyl-9-(2,4,...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CC3CC3)CC3CC3)c(nc12)C(F)(F)F |(15.58,-10,;14.49,-8.9,;14.91,-7.41,;13.83,-6.32,;14.24,-4.84,;12.35,-6.71,;11.93,-8.2,;10.44,-8.58,;13,-9.29,;11.28,-5.62,;11.53,-4.11,;12.82,-3.27,;12.75,-1.73,;11.37,-1.03,;10.09,-1.86,;10.16,-3.38,;9.06,-4.47,;7.53,-4.69,;6.45,-3.59,;6.85,-2.12,;8.34,-1.73,;8.74,-.24,;9.83,.84,;8.34,1.25,;5.78,-1.01,;6.18,.47,;5.78,1.96,;7.27,1.55,;7.27,-6.23,;8.65,-6.94,;9.74,-5.85,;5.89,-6.9,;4.64,-7.53,;4.42,-6.25,;5.53,-8.48,)|
Show InChI InChI=1S/C28H31F3N4/c1-17-12-18(2)25(19(3)13-17)35-23-7-5-4-6-22(23)34-24(26(28(29,30)31)32-27(34)35)16-33(14-20-8-9-20)15-21-10-11-21/h4-7,12-13,20-21H,8-11,14-16H2,1-3H3
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11n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169517
PNG
(CHEMBL190745 | Cyclopropylmethyl-[2-trifluoromethy...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCC(F)(F)F)CC3CC3)c(nc12)C(F)(F)F |(5.88,-11.87,;4.79,-10.77,;5.21,-9.28,;4.13,-8.18,;4.54,-6.71,;2.65,-8.58,;2.23,-10.07,;.73,-10.44,;3.3,-11.17,;1.57,-7.48,;1.82,-5.96,;3.11,-5.14,;3.04,-3.6,;1.67,-2.88,;.38,-3.72,;.45,-5.25,;-.65,-6.33,;-2.19,-6.56,;-3.27,-5.46,;-2.86,-3.98,;-3.94,-2.87,;-3.54,-1.39,;-4.61,-.29,;-5.6,.72,;-4.43,1.32,;-6.21,-.43,;-1.37,-3.58,;-.97,-2.1,;-1.35,-.61,;.12,-1.03,;-2.44,-8.09,;-1.07,-8.81,;.03,-7.71,;-3.83,-8.78,;-4.19,-10.35,;-5.08,-9.41,;-5.3,-8.11,)|
Show InChI InChI=1S/C27H28F6N4/c1-16-12-17(2)23(18(3)13-16)37-21-7-5-4-6-20(21)36-22(24(27(31,32)33)34-25(36)37)15-35(14-19-8-9-19)11-10-26(28,29)30/h4-7,12-13,19H,8-11,14-15H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169508
PNG
(CHEMBL424812 | Cyclopropylmethyl-[2-methyl-9-(2,4,...)
Show SMILES CCCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12 |(-9.52,5.06,;-8.46,3.94,;-8.86,2.47,;-7.77,1.35,;-6.29,1.74,;-5.88,3.24,;-4.78,4.31,;-6.27,4.71,;-8.18,-.12,;-7.11,-1.22,;-7.37,-2.76,;-8.74,-3.44,;-5.99,-3.48,;-4.88,-2.39,;-3.35,-2.15,;-2.28,-3.25,;-2.68,-4.74,;-4.18,-5.12,;-1.61,-5.83,;-.12,-5.44,;.96,-6.54,;.29,-3.95,;-.79,-2.85,;-.39,-1.38,;-3.1,-.64,;-1.8,.2,;-1.87,1.74,;-3.24,2.44,;-4.54,1.61,;-4.47,.09,;-5.57,-1,)|
Show InChI InChI=1S/C27H34N4/c1-6-13-29(16-22-11-12-22)17-25-21(5)28-27-30(25)23-9-7-8-10-24(23)31(27)26-19(3)14-18(2)15-20(26)4/h7-10,14-15,22H,6,11-13,16-17H2,1-5H3
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20n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169531
PNG
(CHEMBL188523 | Cyclopropylmethyl-[2-ethyl-9-(2,4,6...)
Show SMILES CCCN(CC1CC1)Cc1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12 |(-9.52,5.06,;-8.46,3.94,;-8.86,2.47,;-7.77,1.35,;-6.29,1.74,;-5.88,3.24,;-4.78,4.31,;-6.27,4.71,;-8.18,-.12,;-7.11,-1.22,;-7.37,-2.76,;-8.74,-3.44,;-10.03,-2.6,;-5.99,-3.48,;-4.88,-2.39,;-3.35,-2.16,;-2.28,-3.25,;-2.68,-4.74,;-4.18,-5.12,;-1.61,-5.83,;-.12,-5.45,;.96,-6.54,;.29,-3.95,;-.79,-2.86,;-.39,-1.38,;-3.1,-.64,;-1.8,.2,;-1.87,1.74,;-3.24,2.44,;-4.54,1.61,;-4.47,.09,;-5.57,-1,)|
Show InChI InChI=1S/C28H36N4/c1-6-14-30(17-22-12-13-22)18-26-23(7-2)29-28-31(26)24-10-8-9-11-25(24)32(28)27-20(4)15-19(3)16-21(27)5/h8-11,15-16,22H,6-7,12-14,17-18H2,1-5H3
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21n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169524
PNG
(CHEMBL186628 | Cyclopropylmethyl-propyl-[2-trifluo...)
Show SMILES CCCN(CC1CC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-2.56,-11.8,;-1.49,-12.89,;-1.88,-14.38,;-.81,-15.48,;.68,-15.09,;1.08,-13.61,;.7,-12.12,;2.18,-12.53,;-1.21,-16.97,;-.13,-18.07,;-.39,-19.59,;.99,-20.32,;2.09,-19.22,;3.63,-19,;4.7,-20.08,;6.19,-19.7,;6.59,-18.21,;7.27,-20.78,;6.85,-22.28,;7.94,-23.37,;5.35,-22.67,;4.28,-21.58,;2.79,-21.95,;3.86,-17.47,;5.17,-16.64,;5.1,-15.1,;3.72,-14.39,;2.44,-15.23,;2.51,-16.76,;1.4,-17.84,;-1.77,-20.28,;-3.03,-20.91,;-3.24,-19.61,;-2.14,-21.86,)|
Show InChI InChI=1S/C27H31F3N4/c1-5-12-32(15-20-10-11-20)16-23-25(27(28,29)30)31-26-33(23)21-8-6-7-9-22(21)34(26)24-18(3)13-17(2)14-19(24)4/h6-9,13-14,20H,5,10-12,15-16H2,1-4H3
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23n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169520
PNG
(CHEMBL188813 | Cyclobutylmethyl-propyl-[2-trifluor...)
Show SMILES CCCN(CC1CCC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-6.5,-3.36,;-5.43,-4.46,;-5.84,-5.95,;-4.76,-7.05,;-3.28,-6.67,;-2.87,-5.18,;-1.53,-4.43,;-2.3,-3.08,;-3.63,-3.85,;-5.17,-8.54,;-4.09,-9.63,;-4.35,-11.17,;-2.98,-11.87,;-1.86,-10.79,;-.34,-10.57,;.73,-11.65,;2.22,-11.27,;2.62,-9.77,;3.29,-12.35,;2.89,-13.85,;3.97,-14.94,;1.4,-14.23,;.33,-13.13,;-1.17,-13.52,;-.09,-9.04,;1.21,-8.21,;1.14,-6.67,;-.23,-5.97,;-1.53,-6.79,;-1.46,-8.33,;-2.56,-9.4,;-5.73,-11.85,;-6.98,-12.48,;-7.19,-11.19,;-6.08,-13.41,)|
Show InChI InChI=1S/C28H33F3N4/c1-5-13-33(16-21-9-8-10-21)17-24-26(28(29,30)31)32-27-34(24)22-11-6-7-12-23(22)35(27)25-19(3)14-18(2)15-20(25)4/h6-7,11-12,14-15,21H,5,8-10,13,16-17H2,1-4H3
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26n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169533
PNG
(CHEMBL365715 | Cyclopropylmethyl-ethyl-[2-trifluor...)
Show SMILES CCN(CC1CC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-5.82,4.24,;-6.22,2.74,;-5.15,1.65,;-3.65,2.03,;-3.26,3.51,;-2.16,4.59,;-3.64,4.99,;-5.55,.16,;-4.47,-.94,;-4.73,-2.47,;-3.35,-3.18,;-2.25,-2.1,;-.71,-1.87,;.36,-2.96,;1.84,-2.57,;2.25,-1.08,;2.92,-3.66,;2.5,-5.15,;3.59,-6.25,;1.01,-5.53,;-.06,-4.44,;-1.55,-4.83,;-.47,-.35,;.82,.48,;.75,2.02,;-.62,2.73,;-1.9,1.9,;-1.83,.37,;-2.94,-.71,;-6.11,-3.16,;-7.36,-3.79,;-7.58,-2.49,;-6.47,-4.72,)|
Show InChI InChI=1S/C26H29F3N4/c1-5-31(14-19-10-11-19)15-22-24(26(27,28)29)30-25-32(22)20-8-6-7-9-21(20)33(25)23-17(3)12-16(2)13-18(23)4/h6-9,12-13,19H,5,10-11,14-15H2,1-4H3
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28n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169523
PNG
(CHEMBL427527 | Cyclopropylmethyl-(2,2,3,3,3-pentaf...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CC3CC3)CC(F)(F)C(F)(F)F)c(nc12)C(F)(F)F |(3.76,-7.28,;2.69,-6.18,;3.1,-4.69,;2.01,-3.61,;2.42,-2.13,;.54,-3.99,;.12,-5.49,;-1.37,-5.86,;1.2,-6.58,;-.54,-2.91,;-.3,-1.38,;1.01,-.56,;.94,.98,;-.44,1.69,;-1.72,.85,;-1.65,-.68,;-2.77,-1.76,;-4.29,-1.98,;-5.38,-.89,;-4.96,.6,;-3.47,.99,;-3.07,2.47,;-3.47,3.95,;-1.97,3.54,;-6.04,1.7,;-5.63,3.19,;-4.55,4.28,;-7.12,2.79,;-6.71,4.28,;-8.31,4.14,;-7.68,5.28,;-6.53,5.89,;-4.55,-3.5,;-3.17,-4.23,;-2.07,-3.13,;-5.94,-4.2,;-7.4,-3.53,;-6.29,-5.77,;-7.18,-4.82,)|
Show InChI InChI=1S/C27H26F8N4/c1-15-10-16(2)22(17(3)11-15)39-20-7-5-4-6-19(20)38-21(23(26(30,31)32)36-24(38)39)13-37(12-18-8-9-18)14-25(28,29)27(33,34)35/h4-7,10-11,18H,8-9,12-14H2,1-3H3
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34n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169498
PNG
(CHEMBL191052 | Cyclobutylmethyl-(2,2,2-trifluoro-e...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CC3CCC3)CC(F)(F)F)c(nc12)C(F)(F)F |(6.59,-23.74,;5.51,-22.63,;4.01,-23.02,;2.94,-21.93,;1.45,-22.32,;3.36,-20.45,;4.85,-20.06,;5.25,-18.57,;5.92,-21.15,;2.29,-19.36,;2.54,-17.84,;3.83,-17.01,;3.76,-15.48,;2.38,-14.77,;1.1,-15.59,;1.17,-17.13,;.07,-18.2,;-1.46,-18.43,;-2.54,-17.34,;-2.14,-15.85,;-.64,-15.47,;-.25,-13.98,;-1,-12.66,;.33,-11.89,;1.09,-13.23,;-3.21,-14.75,;-2.81,-13.26,;-2.42,-11.91,;-3.73,-11.96,;-1.48,-14.03,;-1.72,-19.96,;-.34,-20.67,;.75,-19.59,;-3.1,-20.65,;-4.57,-19.99,;-3.46,-22.21,;-4.35,-21.28,)|
Show InChI InChI=1S/C27H28F6N4/c1-16-11-17(2)23(18(3)12-16)37-21-10-5-4-9-20(21)36-22(24(27(31,32)33)34-25(36)37)14-35(15-26(28,29)30)13-19-7-6-8-19/h4-5,9-12,19H,6-8,13-15H2,1-3H3
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53n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169537
PNG
(CHEMBL191366 | [9-(2-Bromo-4-isopropyl-phenyl)-2-t...)
Show SMILES CC(C)c1ccc(c(Br)c1)-n1c2ccccc2n2c(CN(CC3CC3)CC3CC3)c(nc12)C(F)(F)F |(10.56,-7.98,;10.96,-6.49,;12.45,-6.11,;9.89,-5.39,;8.4,-5.79,;7.33,-4.69,;7.74,-3.2,;9.21,-2.82,;9.63,-1.34,;10.3,-3.9,;6.67,-2.12,;6.91,-.59,;8.21,.23,;8.14,1.77,;6.77,2.49,;5.48,1.65,;5.55,.12,;4.44,-.96,;2.91,-1.19,;1.83,-.09,;2.25,1.39,;1.17,2.49,;1.57,3.98,;2.67,5.05,;1.17,5.45,;3.73,1.79,;4.13,3.26,;5.23,4.35,;3.74,4.75,;2.66,-2.71,;4.03,-3.43,;5.14,-2.34,;1.27,-3.4,;.02,-4.03,;-.2,-2.74,;.92,-4.97,)|
Show InChI InChI=1S/C28H30BrF3N4/c1-17(2)20-11-12-22(21(29)13-20)35-23-5-3-4-6-24(23)36-25(26(28(30,31)32)33-27(35)36)16-34(14-18-7-8-18)15-19-9-10-19/h3-6,11-13,17-19H,7-10,14-16H2,1-2H3
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54n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169529
PNG
(CHEMBL360185 | Cyclopropylmethyl-[6-fluoro-2-methy...)
Show SMILES CCCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccc(F)cc3n12 |(3.81,5.27,;4.89,4.17,;4.49,2.68,;5.56,1.58,;7.06,1.98,;7.45,3.45,;8.55,4.53,;7.07,4.94,;5.16,.09,;6.24,-1,;5.98,-2.53,;4.6,-3.22,;7.36,-3.25,;8.46,-2.16,;10,-1.94,;11.07,-3.02,;12.56,-2.64,;12.96,-1.15,;13.64,-3.72,;13.22,-5.21,;14.31,-6.31,;11.73,-5.61,;10.65,-4.51,;9.16,-4.89,;10.25,-.4,;11.54,.42,;11.47,1.96,;10.09,2.68,;10.02,4.22,;8.81,1.84,;8.88,.3,;7.77,-.78,)|
Show InChI InChI=1S/C27H33FN4/c1-6-11-30(15-21-7-8-21)16-25-20(5)29-27-31(25)24-14-22(28)9-10-23(24)32(27)26-18(3)12-17(2)13-19(26)4/h9-10,12-14,21H,6-8,11,15-16H2,1-5H3
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59n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169526
PNG
(CHEMBL364002 | Propyl-[2-trifluoromethyl-9-(2,4,6-...)
Show SMILES CCCN(CCC(F)(F)F)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-2.65,3.67,;-4.14,3.28,;-4.54,1.79,;-6.03,1.41,;-7.1,2.51,;-6.7,4,;-7.78,5.1,;-8.76,6.1,;-7.59,6.69,;-9.39,4.94,;-6.43,-.08,;-5.35,-1.17,;-5.61,-2.7,;-4.23,-3.41,;-3.14,-2.33,;-1.6,-2.11,;-.53,-3.19,;.96,-2.8,;1.36,-1.31,;2.04,-3.89,;1.62,-5.38,;2.7,-6.48,;.12,-5.76,;-.95,-4.67,;-2.44,-5.06,;-1.35,-.58,;-.06,.25,;-.13,1.79,;-1.51,2.49,;-2.79,1.67,;-2.72,.13,;-3.82,-.94,;-6.99,-3.39,;-7.36,-4.95,;-8.24,-4.02,;-8.46,-2.73,)|
Show InChI InChI=1S/C26H28F6N4/c1-5-11-34(12-10-25(27,28)29)15-21-23(26(30,31)32)33-24-35(21)19-8-6-7-9-20(19)36(24)22-17(3)13-16(2)14-18(22)4/h6-9,13-14H,5,10-12,15H2,1-4H3
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68n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169511
PNG
((2,2,3,3,3-Pentafluoro-propyl)-propyl-[2-trifluoro...)
Show SMILES CCCN(Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F)CC(F)(F)C(F)(F)F |(-2.7,3.33,;-4.19,2.93,;-4.59,1.45,;-6.08,1.06,;-6.5,-.43,;-5.41,-1.52,;-5.66,-3.05,;-4.29,-3.76,;-3.19,-2.68,;-1.65,-2.46,;-.58,-3.54,;.89,-3.15,;1.31,-1.66,;1.98,-4.24,;1.57,-5.73,;2.64,-6.83,;.08,-6.11,;-.99,-5.02,;-2.49,-5.41,;-1.41,-.93,;-.11,-.1,;-.18,1.44,;-1.55,2.14,;-2.84,1.32,;-2.77,-.22,;-3.88,-1.29,;-7.05,-3.74,;-8.52,-3.08,;-7.4,-5.3,;-8.31,-4.37,;-7.16,2.16,;-6.75,3.65,;-5.99,4.98,;-5.27,3.26,;-7.82,4.75,;-9.43,4.59,;-8.8,5.75,;-7.65,6.34,)|
Show InChI InChI=1S/C26H26F8N4/c1-5-10-36(14-24(27,28)26(32,33)34)13-20-22(25(29,30)31)35-23-37(20)18-8-6-7-9-19(18)38(23)21-16(3)11-15(2)12-17(21)4/h6-9,11-12H,5,10,13-14H2,1-4H3
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75n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169515
PNG
(CHEMBL189115 | Propyl-(2,2,2-trifluoro-ethyl)-[2-t...)
Show SMILES CCCN(Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F)CC(F)(F)F |(-2.65,3.67,;-4.14,3.28,;-4.54,1.79,;-6.03,1.41,;-6.43,-.08,;-5.35,-1.17,;-5.61,-2.7,;-4.23,-3.41,;-3.14,-2.33,;-1.6,-2.11,;-.53,-3.19,;-.95,-4.67,;-2.44,-5.06,;.12,-5.76,;1.62,-5.38,;2.7,-6.48,;2.04,-3.89,;.96,-2.8,;1.36,-1.31,;-1.35,-.58,;-.06,.25,;-.13,1.79,;-1.51,2.49,;-2.79,1.67,;-2.72,.13,;-3.82,-.94,;-6.99,-3.39,;-8.46,-2.73,;-7.36,-4.95,;-8.24,-4.02,;-7.1,2.51,;-6.7,4,;-6.32,5.34,;-5.22,4.64,;-7.64,5.31,)|
Show InChI InChI=1S/C25H26F6N4/c1-5-10-33(14-24(26,27)28)13-20-22(25(29,30)31)32-23-34(20)18-8-6-7-9-19(18)35(23)21-16(3)11-15(2)12-17(21)4/h6-9,11-12H,5,10,13-14H2,1-4H3
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75n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169507
PNG
(CHEMBL188194 | Diallyl-[2-trifluoromethyl-9-(2,4,6...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CC=C)CC=C)c(nc12)C(F)(F)F |(2.55,-6.49,;1.48,-5.39,;-.02,-5.78,;-1.09,-4.69,;-2.58,-5.07,;-.68,-3.2,;.8,-2.8,;1.21,-1.33,;1.89,-3.9,;-1.75,-2.11,;-1.51,-.59,;-.2,.25,;-.27,1.79,;-1.65,2.49,;-2.94,1.65,;-2.87,.13,;-3.98,-.96,;-5.5,-1.17,;-6.59,-.08,;-6.17,1.4,;-4.69,1.79,;-4.28,3.28,;-2.79,3.66,;-7.26,2.51,;-6.85,4,;-7.92,5.08,;-5.76,-2.71,;-4.38,-3.43,;-3.28,-2.34,;-7.15,-3.39,;-8.39,-4.02,;-8.62,-2.74,;-7.5,-4.96,)|
Show InChI InChI=1S/C26H27F3N4/c1-6-12-31(13-7-2)16-22-24(26(27,28)29)30-25-32(22)20-10-8-9-11-21(20)33(25)23-18(4)14-17(3)15-19(23)5/h6-11,14-15H,1-2,12-13,16H2,3-5H3
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138n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169509
PNG
(CHEMBL187940 | Cyclopropylmethyl-[2-ethyl-6-fluoro...)
Show SMILES CCCN(CC1CC1)Cc1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ccc(F)cc3n12 |(3.81,5.27,;4.89,4.17,;4.49,2.68,;5.56,1.58,;7.06,1.98,;7.45,3.45,;8.55,4.53,;7.07,4.94,;5.16,.09,;6.24,-1,;5.98,-2.53,;4.6,-3.22,;4.5,-4.76,;7.36,-3.25,;8.46,-2.16,;10,-1.94,;11.07,-3.02,;12.56,-2.64,;12.96,-1.15,;13.64,-3.72,;13.22,-5.21,;14.31,-6.31,;11.72,-5.61,;10.65,-4.51,;9.16,-4.89,;10.25,-.4,;11.54,.42,;11.47,1.96,;10.09,2.68,;10.02,4.22,;8.81,1.84,;8.88,.3,;7.77,-.78,)|
Show InChI InChI=1S/C28H35FN4/c1-6-12-31(16-21-8-9-21)17-26-23(7-2)30-28-32(26)25-15-22(29)10-11-24(25)33(28)27-19(4)13-18(3)14-20(27)5/h10-11,13-15,21H,6-9,12,16-17H2,1-5H3
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150n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169505
PNG
(CHEMBL189809 | [9-(2-Bromo-4-isopropyl-phenyl)-2-t...)
Show SMILES CCCN(CC1CC1)Cc1c(nc2n(-c3ccc(cc3Br)C(C)C)c3ccccc3n12)C(F)(F)F |(4.91,3.42,;3.41,3.03,;3.02,1.56,;1.52,1.16,;.45,2.26,;.85,3.75,;1.94,4.82,;.47,5.23,;1.12,-.33,;2.2,-1.42,;1.94,-2.95,;3.32,-3.67,;4.42,-2.57,;5.96,-2.36,;7.03,-3.44,;6.61,-4.93,;7.68,-6.03,;9.18,-5.63,;9.6,-4.14,;8.52,-3.06,;8.92,-1.57,;10.27,-6.73,;11.76,-6.35,;9.85,-8.22,;6.21,-.82,;7.5,,;7.43,1.54,;6.05,2.26,;4.77,1.42,;4.84,-.12,;3.73,-1.2,;.56,-3.64,;-.69,-4.27,;-.91,-2.97,;.19,-5.21,)|
Show InChI InChI=1S/C27H30BrF3N4/c1-4-13-33(15-18-9-10-18)16-24-25(27(29,30)31)32-26-34(22-7-5-6-8-23(22)35(24)26)21-12-11-19(17(2)3)14-20(21)28/h5-8,11-12,14,17-18H,4,9-10,13,15-16H2,1-3H3
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150n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169539
PNG
(Bis-cyclopropylmethyl-[9-(2,4-dichloro-phenyl)-2-t...)
Show SMILES FC(F)(F)c1nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3n2c1CN(CC1CC1)CC1CC1 |(-.09,-3.94,;1.15,-3.31,;-.32,-2.64,;.8,-4.88,;2.54,-2.62,;3.91,-3.34,;5.02,-2.24,;6.55,-2.03,;7.62,-3.11,;7.21,-4.6,;8.28,-5.69,;9.77,-5.3,;10.84,-6.39,;10.18,-3.8,;9.09,-2.73,;9.5,-1.24,;6.79,-.5,;8.09,.33,;8.02,1.86,;6.65,2.58,;5.36,1.74,;5.43,.21,;4.32,-.87,;2.8,-1.09,;1.71,,;2.13,1.48,;1.05,2.59,;1.45,4.07,;2.55,5.14,;1.06,5.56,;3.61,1.88,;4.01,3.35,;5.11,4.43,;3.62,4.84,)|
Show InChI InChI=1S/C25H23Cl2F3N4/c26-17-9-10-19(18(27)11-17)33-20-3-1-2-4-21(20)34-22(23(25(28,29)30)31-24(33)34)14-32(12-15-5-6-15)13-16-7-8-16/h1-4,9-11,15-16H,5-8,12-14H2
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240n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169534
PNG
(CHEMBL187362 | Ethyl-phenethyl-[2-trifluoromethyl-...)
Show SMILES CCN(CCc1ccccc1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-2.39,-.03,;-2.8,-1.52,;-4.28,-1.9,;-5.36,-.8,;-4.96,.69,;-6.03,1.79,;-7.52,1.39,;-8.6,2.49,;-8.2,3.98,;-6.71,4.35,;-5.63,3.26,;-4.7,-3.39,;-3.61,-4.48,;-3.87,-6.01,;-2.49,-6.72,;-1.39,-5.64,;.14,-5.42,;1.21,-6.5,;.8,-7.98,;-.69,-8.37,;1.87,-9.08,;3.36,-8.69,;4.44,-9.79,;3.78,-7.2,;2.69,-6.12,;3.1,-4.62,;.38,-3.89,;1.69,-3.06,;1.62,-1.52,;.24,-.82,;-1.05,-1.64,;-.98,-3.18,;-2.09,-4.25,;-5.26,-6.7,;-6.5,-7.33,;-6.73,-6.04,;-5.61,-8.26,)|
Show InChI InChI=1S/C30H31F3N4/c1-5-35(16-15-23-11-7-6-8-12-23)19-26-28(30(31,32)33)34-29-36(26)24-13-9-10-14-25(24)37(29)27-21(3)17-20(2)18-22(27)4/h6-14,17-18H,5,15-16,19H2,1-4H3
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249n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169534
PNG
(CHEMBL187362 | Ethyl-phenethyl-[2-trifluoromethyl-...)
Show SMILES CCN(CCc1ccccc1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-2.39,-.03,;-2.8,-1.52,;-4.28,-1.9,;-5.36,-.8,;-4.96,.69,;-6.03,1.79,;-7.52,1.39,;-8.6,2.49,;-8.2,3.98,;-6.71,4.35,;-5.63,3.26,;-4.7,-3.39,;-3.61,-4.48,;-3.87,-6.01,;-2.49,-6.72,;-1.39,-5.64,;.14,-5.42,;1.21,-6.5,;.8,-7.98,;-.69,-8.37,;1.87,-9.08,;3.36,-8.69,;4.44,-9.79,;3.78,-7.2,;2.69,-6.12,;3.1,-4.62,;.38,-3.89,;1.69,-3.06,;1.62,-1.52,;.24,-.82,;-1.05,-1.64,;-.98,-3.18,;-2.09,-4.25,;-5.26,-6.7,;-6.5,-7.33,;-6.73,-6.04,;-5.61,-8.26,)|
Show InChI InChI=1S/C30H31F3N4/c1-5-35(16-15-23-11-7-6-8-12-23)19-26-28(30(31,32)33)34-29-36(26)24-13-9-10-14-25(24)37(29)27-21(3)17-20(2)18-22(27)4/h6-14,17-18H,5,15-16,19H2,1-4H3
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249n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169522
PNG
(CHEMBL188623 | Phenethyl-propyl-[2-trifluoromethyl...)
Show SMILES CCCN(CCc1ccccc1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(6.83,3.63,;5.34,3.24,;4.93,1.76,;3.45,1.37,;2.36,2.47,;2.77,3.96,;1.7,5.05,;.22,4.66,;-.86,5.75,;-.46,7.24,;1.03,7.62,;2.11,6.54,;3.04,-.12,;4.11,-1.21,;3.85,-2.74,;5.23,-3.46,;6.34,-2.36,;7.87,-2.14,;8.94,-3.23,;10.43,-2.84,;10.83,-1.36,;11.5,-3.92,;11.1,-5.42,;12.18,-6.51,;9.61,-5.81,;8.53,-4.72,;7.04,-5.09,;8.12,-.61,;9.42,.21,;9.35,1.75,;7.97,2.46,;6.68,1.62,;6.75,.09,;5.65,-.99,;2.48,-3.43,;1.22,-4.06,;1.01,-2.76,;2.12,-5,)|
Show InChI InChI=1S/C31H33F3N4/c1-5-16-36(17-15-24-11-7-6-8-12-24)20-27-29(31(32,33)34)35-30-37(27)25-13-9-10-14-26(25)38(30)28-22(3)18-21(2)19-23(28)4/h6-14,18-19H,5,15-17,20H2,1-4H3
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250n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169518
PNG
((2,2,2-Trifluoro-ethyl)-[2-trifluoromethyl-9-(2,4,...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCC(F)(F)F)CC(F)(F)F)c(nc12)C(F)(F)F |(4.95,-9.78,;3.86,-8.68,;4.27,-7.19,;3.2,-6.11,;3.6,-4.62,;1.71,-6.49,;1.31,-7.98,;-.19,-8.36,;2.38,-9.08,;.64,-5.41,;.89,-3.88,;2.19,-3.05,;2.12,-1.52,;.75,-.8,;-.55,-1.64,;-.48,-3.17,;-1.58,-4.25,;-3.12,-4.48,;-4.19,-3.38,;-3.78,-1.9,;-4.87,-.79,;-4.45,.69,;-5.53,1.79,;-6.51,2.79,;-5.36,3.4,;-7.13,1.65,;-2.3,-1.5,;-1.89,-.02,;-1.52,1.33,;-.41,.63,;-2.81,1.3,;-3.37,-6,;-2,-6.72,;-.89,-5.63,;-4.75,-6.69,;-6.01,-7.32,;-6.22,-6.02,;-5.11,-8.26,)|
Show InChI InChI=1S/C25H23F9N4/c1-14-10-15(2)20(16(3)11-14)38-18-7-5-4-6-17(18)37-19(21(25(32,33)34)35-22(37)38)12-36(13-24(29,30)31)9-8-23(26,27)28/h4-7,10-11H,8-9,12-13H2,1-3H3
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291n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169512
PNG
(CHEMBL360389 | Diphenethyl-[2-trifluoromethyl-9-(2...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCc3ccccc3)CCc3ccccc3)c(nc12)C(F)(F)F |(5.38,-12.68,;4.31,-11.59,;2.82,-11.98,;1.75,-10.89,;.26,-11.26,;2.16,-9.4,;3.64,-9.02,;4.05,-7.54,;4.72,-10.1,;1.09,-8.33,;1.33,-6.8,;2.64,-5.98,;2.57,-4.44,;1.19,-3.73,;-.09,-4.57,;-.02,-6.09,;-1.13,-7.17,;-2.65,-7.4,;-3.74,-6.3,;-3.32,-4.82,;-1.84,-4.43,;-1.43,-2.95,;-1.84,-1.47,;-.74,-.36,;-1.15,1.13,;-2.67,1.53,;-3.76,.41,;-3.34,-1.08,;-4.4,-3.72,;-3.99,-2.24,;-5.06,-1.15,;-4.65,.33,;-5.74,1.42,;-7.22,1.04,;-7.62,-.45,;-6.55,-1.54,;-2.91,-8.91,;-1.53,-9.64,;-.43,-8.54,;-4.29,-9.6,;-5.53,-10.23,;-5.76,-8.94,;-4.64,-11.17,)|
Show InChI InChI=1S/C36H35F3N4/c1-25-22-26(2)33(27(3)23-25)43-31-17-11-10-16-30(31)42-32(34(36(37,38)39)40-35(42)43)24-41(20-18-28-12-6-4-7-13-28)21-19-29-14-8-5-9-15-29/h4-17,22-23H,18-21,24H2,1-3H3
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333n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169519
PNG
(2-Methyl-9-(2,4,6-trimethyl-phenyl)-9H-benzo[d]imi...)
Show SMILES CCCN(CC1CC1)C(=O)c1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12 |(-3.26,4.59,;-2.19,3.49,;-2.6,2,;-1.52,.9,;-.04,1.28,;.37,2.77,;1.47,3.84,;-.02,4.24,;-1.93,-.59,;-3.42,-.96,;-.85,-1.69,;-1.11,-3.22,;-2.49,-3.9,;.26,-3.93,;1.38,-2.84,;2.9,-2.62,;3.97,-3.71,;5.46,-3.32,;5.86,-1.83,;6.54,-4.41,;6.13,-5.9,;7.21,-7,;4.64,-6.28,;3.57,-5.18,;2.08,-5.57,;3.16,-1.1,;4.44,-.26,;4.38,1.27,;3.01,1.98,;1.71,1.16,;1.78,-.38,;.68,-1.45,)|
Show InChI InChI=1S/C27H32N4O/c1-6-13-29(16-21-11-12-21)26(32)25-20(5)28-27-30(22-9-7-8-10-23(22)31(25)27)24-18(3)14-17(2)15-19(24)4/h7-10,14-15,21H,6,11-13,16H2,1-5H3
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360n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169501
PNG
((2-Cyclopropyl-ethyl)-propyl-[2-trifluoromethyl-9-...)
Show SMILES CCCN(CCC1CC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-.16,-1.38,;-1.65,-1.77,;-2.05,-3.25,;-3.54,-3.64,;-4.62,-2.54,;-4.21,-1.06,;-5.28,.04,;-5.68,1.53,;-6.78,.46,;-3.95,-5.13,;-2.87,-6.22,;-3.12,-7.75,;-1.75,-8.47,;-.64,-7.37,;.89,-7.16,;1.96,-8.24,;3.43,-7.86,;3.85,-6.37,;4.52,-8.94,;4.11,-10.43,;5.18,-11.52,;2.62,-10.82,;1.55,-9.73,;.05,-10.1,;1.13,-5.63,;2.43,-4.8,;2.36,-3.26,;.99,-2.55,;-.3,-3.39,;-.23,-4.92,;-1.34,-6,;-4.51,-8.44,;-5.76,-9.07,;-5.98,-7.77,;-4.86,-10.01,)|
Show InChI InChI=1S/C28H33F3N4/c1-5-13-33(14-12-21-10-11-21)17-24-26(28(29,30)31)32-27-34(24)22-8-6-7-9-23(22)35(27)25-19(3)15-18(2)16-20(25)4/h6-9,15-16,21H,5,10-14,17H2,1-4H3
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362n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169510
PNG
(CHEMBL363218 | Cyclopropylmethyl-[9-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)Cc1c(nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3n12)C(F)(F)F |(6.95,3.42,;5.46,3.03,;5.04,1.55,;3.57,1.16,;2.48,2.26,;2.89,3.75,;3.97,4.82,;2.5,5.22,;3.16,-.33,;4.23,-1.42,;3.97,-2.95,;5.35,-3.67,;6.46,-2.57,;7.98,-2.35,;9.05,-3.44,;8.65,-4.93,;9.72,-6.02,;11.22,-5.63,;12.3,-6.72,;11.62,-4.13,;10.55,-3.05,;10.94,-1.57,;8.24,-.82,;9.54,,;9.47,1.54,;8.09,2.25,;6.79,1.41,;6.86,-.12,;5.77,-1.2,;2.6,-3.64,;1.34,-4.27,;1.13,-2.97,;2.24,-5.21,)|
Show InChI InChI=1S/C24H23Cl2F3N4/c1-2-11-31(13-15-7-8-15)14-21-22(24(27,28)29)30-23-32(18-10-9-16(25)12-17(18)26)19-5-3-4-6-20(19)33(21)23/h3-6,9-10,12,15H,2,7-8,11,13-14H2,1H3
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370n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169536
PNG
(CHEMBL189798 | [9-(2-Bromo-4-isopropyl-phenyl)-2-t...)
Show SMILES CCCN(CCc1ccccc1)Cc1c(nc2n(-c3ccc(cc3Br)C(C)C)c3ccccc3n12)C(F)(F)F |(4.62,2.89,;3.12,2.51,;2.71,1.02,;1.24,.63,;.15,1.74,;.56,3.22,;-.51,4.31,;-2,3.93,;-3.08,5.01,;-2.67,6.5,;-1.18,6.89,;-.11,5.8,;.82,-.85,;1.9,-1.94,;1.64,-3.48,;3.02,-4.2,;4.13,-3.11,;5.65,-2.88,;6.72,-3.97,;6.32,-5.46,;7.39,-6.55,;8.88,-6.16,;9.29,-4.67,;8.21,-3.58,;8.61,-2.1,;9.96,-7.26,;9.54,-8.74,;11.46,-6.88,;5.91,-1.36,;7.2,-.52,;7.13,1.02,;5.76,1.72,;4.46,.89,;4.53,-.64,;3.44,-1.73,;.26,-4.16,;-.99,-4.79,;-1.2,-3.51,;-.09,-5.74,)|
Show InChI InChI=1S/C31H32BrF3N4/c1-4-17-37(18-16-22-10-6-5-7-11-22)20-28-29(31(33,34)35)36-30-38(26-12-8-9-13-27(26)39(28)30)25-15-14-23(21(2)3)19-24(25)32/h5-15,19,21H,4,16-18,20H2,1-3H3
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410n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169506
PNG
(Benzyl-[2-trifluoromethyl-9-(2,4,6-trimethyl-pheny...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCC(F)(F)F)Cc3ccccc3)c(nc12)C(F)(F)F |(5.53,-9.81,;4.46,-8.72,;2.97,-9.1,;1.9,-8,;.4,-8.39,;2.31,-6.53,;3.78,-6.14,;4.2,-4.65,;4.87,-7.23,;1.24,-5.44,;1.48,-3.92,;2.78,-3.08,;2.71,-1.55,;1.34,-.84,;.05,-1.66,;.12,-3.2,;-.99,-4.27,;-2.52,-4.51,;-3.6,-3.41,;-3.19,-1.92,;-1.7,-1.54,;-1.3,-.05,;-2.38,1.04,;-3.37,2.04,;-2.21,2.65,;-3.98,.9,;-4.27,-.82,;-5.76,-1.21,;-6.15,-2.69,;-7.64,-3.08,;-8.73,-1.98,;-8.31,-.5,;-6.83,-.1,;-2.77,-6.04,;-1.4,-6.74,;-.3,-5.66,;-4.16,-6.72,;-4.51,-8.28,;-5.41,-7.35,;-5.63,-6.06,)|
Show InChI InChI=1S/C30H28F6N4/c1-19-15-20(2)26(21(3)16-19)40-24-12-8-7-11-23(24)39-25(27(30(34,35)36)37-28(39)40)18-38(14-13-29(31,32)33)17-22-9-5-4-6-10-22/h4-12,15-16H,13-14,17-18H2,1-3H3
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428n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169504
PNG
((2-Cyclopropyl-ethyl)-[2-trifluoromethyl-9-(2,4,6-...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCC3CC3)CCC(F)(F)F)c(nc12)C(F)(F)F |(3.15,-7.19,;2.08,-6.09,;2.49,-4.6,;1.41,-3.5,;1.82,-2.03,;-.07,-3.9,;-.48,-5.38,;-1.97,-5.77,;.59,-6.48,;-1.14,-2.8,;-.9,-1.29,;.4,-.45,;.33,1.09,;-1.04,1.79,;-2.33,.96,;-2.26,-.57,;-3.37,-1.65,;-4.89,-1.87,;-5.98,-.78,;-5.56,.7,;-6.64,1.81,;-8.13,1.41,;-9.22,2.51,;-9.6,4,;-10.69,2.93,;-4.08,1.09,;-3.68,2.58,;-4.76,3.68,;-5.75,4.68,;-4.58,5.28,;-6.36,3.54,;-5.15,-3.41,;-3.78,-4.13,;-2.67,-3.04,;-6.54,-4.09,;-6.89,-5.66,;-7.79,-4.72,;-8.01,-3.43,)|
Show InChI InChI=1S/C28H30F6N4/c1-17-14-18(2)24(19(3)15-17)38-22-7-5-4-6-21(22)37-23(25(28(32,33)34)35-26(37)38)16-36(12-10-20-8-9-20)13-11-27(29,30)31/h4-7,14-15,20H,8-13,16H2,1-3H3
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457n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169527
PNG
(2-Ethyl-9-(2,4,6-trimethyl-phenyl)-9H-benzo[d]imid...)
Show SMILES CCCN(CC1CC1)C(=O)c1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12 |(-5.1,2.81,;-4.03,1.72,;-4.43,.23,;-3.35,-.87,;-1.86,-.49,;-1.46,.99,;-.37,2.07,;-1.86,2.47,;-3.77,-2.36,;-5.26,-2.74,;-2.68,-3.46,;-2.94,-4.99,;-4.33,-5.67,;-5.61,-4.83,;-1.56,-5.7,;-.46,-4.62,;1.07,-4.39,;2.14,-5.48,;3.62,-5.09,;4.03,-3.6,;4.71,-6.18,;4.3,-7.67,;5.37,-8.77,;2.81,-8.05,;1.73,-6.95,;.24,-7.34,;1.31,-2.87,;2.62,-2.04,;2.55,-.5,;1.17,.21,;-.12,-.61,;-.05,-2.15,;-1.16,-3.22,)|
Show InChI InChI=1S/C28H34N4O/c1-6-14-30(17-21-12-13-21)27(33)26-22(7-2)29-28-31(23-10-8-9-11-24(23)32(26)28)25-19(4)15-18(3)16-20(25)5/h8-11,15-16,21H,6-7,12-14,17H2,1-5H3
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570n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169499
PNG
(Benzyl-methyl-[2-trifluoromethyl-9-(2,4,6-trimethy...)
Show SMILES CN(Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F)Cc1ccccc1 |(.28,-16.12,;-1.2,-16.51,;-1.62,-18,;-.54,-19.09,;-.79,-20.62,;.58,-21.34,;1.69,-20.25,;3.22,-20.03,;4.29,-21.11,;3.88,-22.6,;2.39,-22.97,;4.95,-23.7,;6.44,-23.3,;7.52,-24.4,;6.85,-21.81,;5.77,-20.73,;6.18,-19.24,;3.46,-18.5,;4.76,-17.67,;4.69,-16.13,;3.32,-15.42,;2.03,-16.26,;2.1,-17.79,;.99,-18.87,;-2.18,-21.31,;-3.44,-21.94,;-3.65,-20.64,;-2.53,-22.88,;-2.28,-15.41,;-3.78,-15.79,;-4.17,-17.28,;-5.66,-17.66,;-6.75,-16.56,;-6.33,-15.08,;-4.85,-14.7,)|
Show InChI InChI=1S/C28H27F3N4/c1-18-14-19(2)25(20(3)15-18)35-23-13-9-8-12-22(23)34-24(26(28(29,30)31)32-27(34)35)17-33(4)16-21-10-6-5-7-11-21/h5-15H,16-17H2,1-4H3
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573n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169516
PNG
(CHEMBL365858 | Phenethyl-[2-trifluoromethyl-9-(2,4...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCc3ccccc3)CCC(F)(F)F)c(nc12)C(F)(F)F |(4.09,-8.17,;3.02,-7.07,;1.52,-7.46,;.45,-6.37,;-1.04,-6.75,;.87,-4.88,;2.36,-4.48,;2.76,-3.01,;3.44,-5.58,;-.2,-3.79,;.05,-2.27,;1.34,-1.43,;1.27,.11,;-.11,.81,;-1.39,-.02,;-1.32,-1.55,;-2.42,-2.63,;-3.96,-2.85,;-5.04,-1.76,;-4.63,-.28,;-5.71,.83,;-7.2,.44,;-8.28,1.53,;-9.76,1.14,;-10.84,2.23,;-10.44,3.72,;-8.95,4.12,;-7.87,3.02,;-3.14,.11,;-2.74,1.6,;-3.82,2.7,;-4.8,3.7,;-3.65,4.29,;-5.43,2.54,;-4.21,-4.39,;-2.84,-5.11,;-1.74,-4.02,;-5.6,-5.07,;-5.96,-6.65,;-6.85,-5.7,;-7.07,-4.41,)|
Show InChI InChI=1S/C31H30F6N4/c1-20-17-21(2)27(22(3)18-20)41-25-12-8-7-11-24(25)40-26(28(31(35,36)37)38-29(40)41)19-39(16-14-30(32,33)34)15-13-23-9-5-4-6-10-23/h4-12,17-18H,13-16,19H2,1-3H3
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618n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169502
PNG
((2-Cyclopropyl-ethyl)-(2,2,2-trifluoro-ethyl)-[2-t...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCC3CC3)CC(F)(F)F)c(nc12)C(F)(F)F |(9.19,-8.05,;8.11,-6.96,;6.62,-7.35,;5.55,-6.26,;4.06,-6.63,;5.95,-4.76,;7.45,-4.38,;7.84,-2.9,;8.52,-5.46,;4.88,-3.68,;5.14,-2.15,;6.43,-1.33,;6.36,.21,;4.99,.92,;3.69,.09,;3.76,-1.45,;2.67,-2.53,;1.13,-2.75,;.05,-1.66,;.47,-.17,;-.62,.93,;-2.11,.55,;-3.19,1.65,;-3.57,3.14,;-4.66,2.05,;1.94,.23,;2.35,1.7,;2.71,3.07,;3.82,2.35,;1.42,3.02,;.87,-4.27,;2.25,-5,;3.36,-3.9,;-.51,-4.97,;-1.97,-4.3,;-.86,-6.54,;-1.76,-5.6,)|
Show InChI InChI=1S/C27H28F6N4/c1-16-12-17(2)23(18(3)13-16)37-21-7-5-4-6-20(21)36-22(24(27(31,32)33)34-25(36)37)14-35(15-26(28,29)30)11-10-19-8-9-19/h4-7,12-13,19H,8-11,14-15H2,1-3H3
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653n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169500
PNG
(Butyl-ethyl-[2-trifluoromethyl-9-(2,4,6-trimethyl-...)
Show SMILES CCCCN(CC)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-3.88,3.65,;-4.3,2.16,;-3.21,1.06,;-1.72,1.46,;-.64,.35,;.84,.74,;1.24,2.23,;-1.06,-1.12,;.02,-2.22,;-.23,-3.75,;1.14,-4.47,;2.24,-3.38,;3.77,-3.15,;4.84,-4.24,;6.31,-3.85,;6.72,-2.37,;7.4,-4.94,;6.99,-6.43,;8.06,-7.52,;5.5,-6.82,;4.43,-5.72,;2.94,-6.1,;4.01,-1.64,;5.31,-.8,;5.24,.74,;3.87,1.43,;2.58,.6,;2.65,-.92,;1.54,-2,;-1.62,-4.43,;-2.86,-5.06,;-3.09,-3.78,;-1.97,-6,)|
Show InChI InChI=1S/C26H31F3N4/c1-6-8-13-31(7-2)16-22-24(26(27,28)29)30-25-32(22)20-11-9-10-12-21(20)33(25)23-18(4)14-17(3)15-19(23)5/h9-12,14-15H,6-8,13,16H2,1-5H3
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704n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169525
PNG
(CHEMBL364809 | Phenethyl-(2,2,2-trifluoro-ethyl)-[...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CCc3ccccc3)CC(F)(F)F)c(nc12)C(F)(F)F |(7.76,-8.34,;6.69,-7.25,;7.1,-5.76,;6.02,-4.66,;6.43,-3.19,;4.54,-5.06,;4.13,-6.54,;2.64,-6.92,;5.2,-7.64,;3.47,-3.97,;3.71,-2.45,;5.01,-1.61,;4.94,-.08,;3.57,.62,;2.28,-.21,;2.35,-1.73,;1.24,-2.82,;-.28,-3.04,;-1.37,-1.94,;-.95,-.47,;-2.03,.64,;-3.52,.25,;-4.6,1.34,;-4.18,2.83,;-5.26,3.93,;-6.75,3.53,;-7.16,2.04,;-6.08,.95,;.54,-.08,;.94,1.41,;1.31,2.76,;2.41,2.06,;.01,2.72,;-.54,-4.57,;.84,-5.29,;1.94,-4.2,;-1.92,-5.25,;-3.39,-4.6,;-2.27,-6.82,;-3.17,-5.88,)|
Show InChI InChI=1S/C30H28F6N4/c1-19-15-20(2)26(21(3)16-19)40-24-12-8-7-11-23(24)39-25(27(30(34,35)36)37-28(39)40)17-38(18-29(31,32)33)14-13-22-9-5-4-6-10-22/h4-12,15-16H,13-14,17-18H2,1-3H3
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744n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169514
PNG
(2-Ethyl-6-fluoro-9-(2,4,6-trimethyl-phenyl)-9H-ben...)
Show SMILES CCCN(CC1CC1)C(=O)c1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ccc(F)cc3n12 |(.33,-13.31,;1.41,-14.4,;1.01,-15.9,;2.08,-16.99,;3.58,-16.61,;3.97,-15.13,;5.07,-14.05,;3.59,-13.65,;1.68,-18.48,;.19,-18.86,;2.76,-19.58,;2.5,-21.11,;1.12,-21.8,;-.16,-20.95,;3.88,-21.82,;4.98,-20.74,;6.52,-20.51,;7.59,-21.6,;7.17,-23.08,;5.68,-23.47,;8.24,-24.18,;9.74,-23.8,;10.82,-24.89,;10.16,-22.3,;9.08,-21.21,;9.48,-19.72,;6.77,-18.99,;8.06,-18.16,;7.99,-16.62,;6.61,-15.91,;6.54,-14.37,;5.33,-16.74,;5.4,-18.27,;4.29,-19.35,)|
Show InChI InChI=1S/C28H33FN4O/c1-6-12-31(16-20-8-9-20)27(34)26-22(7-2)30-28-32(25-18(4)13-17(3)14-19(25)5)23-11-10-21(29)15-24(23)33(26)28/h10-11,13-15,20H,6-9,12,16H2,1-5H3
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930n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169530
PNG
(6-Fluoro-2-methyl-9-(2,4,6-trimethyl-phenyl)-9H-be...)
Show SMILES CCCN(CC1CC1)C(=O)c1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ccc(F)cc3n12 |(-3.63,2.07,;-2.56,.97,;-2.96,-.51,;-1.88,-1.62,;-.39,-1.22,;.01,.26,;1.1,1.33,;-.37,1.74,;-2.29,-3.1,;-3.78,-3.49,;-1.21,-4.2,;-1.46,-5.73,;-2.85,-6.42,;-.09,-6.45,;1.01,-5.35,;2.55,-5.13,;3.63,-6.22,;3.21,-7.71,;1.71,-8.08,;4.28,-8.81,;5.77,-8.41,;6.86,-9.51,;6.19,-6.92,;5.11,-5.83,;5.52,-4.35,;2.8,-3.6,;4.09,-2.78,;4.02,-1.24,;2.65,-.52,;2.58,1.02,;1.36,-1.36,;1.43,-2.89,;.33,-3.98,)|
Show InChI InChI=1S/C27H31FN4O/c1-6-11-30(15-20-7-8-20)26(33)25-19(5)29-27-31(24-17(3)12-16(2)13-18(24)4)22-10-9-21(28)14-23(22)32(25)27/h9-10,12-14,20H,6-8,11,15H2,1-5H3
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1.18E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169538
PNG
((2-Cyclopropyl-ethyl)-ethyl-[2-trifluoromethyl-9-(...)
Show SMILES CCN(CCC1CC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(.75,2.7,;.33,1.23,;-1.14,.83,;-2.23,1.94,;-3.72,1.55,;-4.8,2.65,;-5.18,4.14,;-6.27,3.05,;-1.55,-.65,;-.48,-1.75,;-.74,-3.27,;.64,-4,;1.75,-2.9,;3.27,-2.68,;4.34,-3.76,;5.84,-3.38,;6.23,-1.9,;6.91,-4.46,;6.51,-5.95,;7.59,-7.05,;5.01,-6.35,;3.94,-5.25,;2.45,-5.63,;3.53,-1.15,;4.83,-.33,;4.76,1.21,;3.38,1.93,;2.08,1.09,;2.15,-.44,;1.06,-1.52,;-2.11,-3.96,;-3.37,-4.59,;-3.58,-3.3,;-2.47,-5.53,)|
Show InChI InChI=1S/C27H31F3N4/c1-5-32(13-12-20-10-11-20)16-23-25(27(28,29)30)31-26-33(23)21-8-6-7-9-22(21)34(26)24-18(3)14-17(2)15-19(24)4/h6-9,14-15,20H,5,10-13,16H2,1-4H3
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1.41E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169528
PNG
(CHEMBL362124 | [9-(2,4-Dichloro-phenyl)-2-trifluor...)
Show SMILES CCCN(CCc1ccccc1)Cc1c(nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3n12)C(F)(F)F |(7.76,.46,;6.27,.06,;5.86,-1.42,;4.38,-1.8,;3.29,-.71,;3.71,.78,;2.63,1.88,;1.15,1.48,;.07,2.58,;.47,4.07,;1.97,4.47,;3.04,3.36,;3.97,-3.29,;5.04,-4.39,;4.79,-5.92,;6.16,-6.63,;7.27,-5.55,;8.8,-5.32,;9.87,-6.41,;9.46,-7.89,;10.54,-8.98,;12.03,-8.6,;13.11,-9.7,;12.43,-7.11,;11.36,-6.02,;11.76,-4.53,;9.05,-3.8,;10.35,-2.97,;10.28,-1.43,;8.9,-.72,;7.61,-1.55,;7.68,-3.08,;6.58,-4.16,;3.41,-6.6,;2.15,-7.23,;1.94,-5.94,;3.05,-8.17,)|
Show InChI InChI=1S/C28H25Cl2F3N4/c1-2-15-35(16-14-19-8-4-3-5-9-19)18-25-26(28(31,32)33)34-27-36(22-13-12-20(29)17-21(22)30)23-10-6-7-11-24(23)37(25)27/h3-13,17H,2,14-16,18H2,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169503
PNG
(Benzyl-ethyl-[2-trifluoromethyl-9-(2,4,6-trimethyl...)
Show SMILES CCN(Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F)Cc1ccccc1 |(.5,-13.42,;.1,-14.89,;-1.39,-15.29,;-1.8,-16.78,;-.72,-17.87,;-.97,-19.4,;.4,-20.12,;1.5,-19.02,;3.04,-18.81,;4.11,-19.89,;3.69,-21.38,;2.2,-21.75,;4.77,-22.48,;6.26,-22.08,;7.35,-23.18,;6.68,-20.59,;5.6,-19.51,;6,-18.02,;3.29,-17.27,;4.58,-16.45,;4.51,-14.91,;3.13,-14.19,;1.85,-15.03,;1.92,-16.57,;.82,-17.65,;-2.36,-20.09,;-3.61,-20.72,;-3.83,-19.42,;-2.72,-21.66,;-2.47,-14.19,;-3.96,-14.57,;-5.03,-13.47,;-6.53,-13.86,;-6.93,-15.34,;-5.85,-16.43,;-4.36,-16.05,)|
Show InChI InChI=1S/C29H29F3N4/c1-5-34(17-22-11-7-6-8-12-22)18-25-27(29(30,31)32)33-28-35(25)23-13-9-10-14-24(23)36(28)26-20(3)15-19(2)16-21(26)4/h6-16H,5,17-18H2,1-4H3
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2.77E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169532
PNG
(2-Trifluoromethyl-9-(2,4,6-trimethyl-phenyl)-9H-be...)
Show SMILES CCCN(CC1CC1)C(=O)c1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F |(-6.76,4.88,;-5.68,3.78,;-6.08,2.3,;-5.01,1.19,;-3.51,1.58,;-3.12,3.07,;-3.5,4.54,;-2.02,4.14,;-5.41,-.29,;-6.9,-.68,;-4.33,-1.38,;-4.59,-2.92,;-3.21,-3.64,;-2.11,-2.55,;-.58,-2.32,;.5,-3.41,;.08,-4.9,;-1.42,-5.28,;1.15,-5.99,;2.64,-5.61,;3.73,-6.7,;3.06,-4.11,;1.98,-3.02,;2.39,-1.54,;-.33,-.8,;.96,.04,;.89,1.58,;-.48,2.28,;-1.76,1.45,;-1.7,-.08,;-2.8,-1.17,;-5.97,-3.6,;-7.22,-4.23,;-7.44,-2.95,;-6.34,-5.18,)|
Show InChI InChI=1S/C27H29F3N4O/c1-5-12-32(15-19-10-11-19)25(35)23-24(27(28,29)30)31-26-33(20-8-6-7-9-21(20)34(23)26)22-17(3)13-16(2)14-18(22)4/h6-9,13-14,19H,5,10-12,15H2,1-4H3
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PubMed
3.56E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169513
PNG
(Benzyl-propyl-[2-trifluoromethyl-9-(2,4,6-trimethy...)
Show SMILES CCCN(Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F)Cc1ccccc1 |(.7,-18.27,;-.79,-18.66,;-1.21,-20.14,;-2.68,-20.54,;-3.09,-22.02,;-2.02,-23.12,;-2.28,-24.64,;-.9,-25.36,;.21,-24.27,;1.73,-24.05,;2.81,-25.13,;2.4,-26.62,;.91,-27,;3.48,-27.72,;4.97,-27.32,;6.05,-28.42,;5.37,-25.83,;4.3,-24.75,;4.7,-23.26,;1.99,-22.52,;3.29,-21.69,;3.22,-20.15,;1.84,-19.44,;.54,-20.28,;.61,-21.81,;-.48,-22.89,;-3.65,-25.33,;-4.91,-25.96,;-5.12,-24.66,;-4.01,-26.9,;-3.77,-19.43,;-5.26,-19.81,;-5.66,-21.3,;-7.14,-21.68,;-8.23,-20.58,;-7.81,-19.1,;-6.34,-18.72,)|
Show InChI InChI=1S/C30H31F3N4/c1-5-15-35(18-23-11-7-6-8-12-23)19-26-28(30(31,32)33)34-29-36(26)24-13-9-10-14-25(24)37(29)27-21(3)16-20(2)17-22(27)4/h6-14,16-17H,5,15,18-19H2,1-4H3
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PubMed
4.05E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50169521
PNG
(Benzyl-butyl-[2-trifluoromethyl-9-(2,4,6-trimethyl...)
Show SMILES CCCCN(Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)C(F)(F)F)Cc1ccccc1 |(1.93,-.05,;1.52,-1.52,;.03,-1.92,;-.37,-3.4,;-1.86,-3.78,;-2.28,-5.28,;-1.19,-6.37,;-1.45,-7.9,;-.07,-8.61,;1.03,-7.53,;2.56,-7.3,;3.64,-8.39,;3.22,-9.87,;1.73,-10.26,;4.3,-10.96,;5.79,-10.58,;6.86,-11.68,;6.2,-9.09,;5.11,-8,;5.52,-6.51,;2.8,-5.78,;4.11,-4.95,;4.04,-3.41,;2.66,-2.7,;1.38,-3.53,;1.45,-5.07,;.33,-6.14,;-2.84,-8.59,;-4.08,-9.21,;-4.3,-7.92,;-3.19,-10.15,;-2.94,-2.69,;-4.43,-3.08,;-5.5,-1.97,;-6.98,-2.36,;-7.4,-3.85,;-6.31,-4.94,;-4.82,-4.55,)|
Show InChI InChI=1S/C31H33F3N4/c1-5-6-16-36(19-24-12-8-7-9-13-24)20-27-29(31(32,33)34)35-30-37(27)25-14-10-11-15-26(25)38(30)28-22(3)17-21(2)18-23(28)4/h7-15,17-18H,5-6,16,19-20H2,1-4H3
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PubMed
7.71E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair