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Compile Data Set for Download or QSAR

Found 2175 hits with Last Name = 'dasgupta' and Initial = 'b'   
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))
BDBM50319849
PNG
(CHEMBL1083921 | N-((2-chloro-1-(2-chloro-4,6-dimet...)
Show SMILES CCCN(CC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1Cl)C(F)(F)F |(10.57,-13.82,;10.58,-15.36,;9.26,-16.14,;9.27,-17.68,;10.61,-18.44,;11.94,-17.66,;13.47,-17.64,;12.69,-16.32,;7.94,-18.46,;7.95,-20.01,;7.01,-21.24,;7.9,-22.51,;9.38,-22.06,;10.84,-22.57,;11.77,-21.33,;13.31,-21.36,;10.89,-20.07,;9.41,-20.52,;11.61,-23.9,;10.83,-25.23,;9.29,-25.22,;11.59,-26.57,;13.13,-26.57,;13.9,-27.91,;13.91,-25.23,;13.14,-23.9,;13.91,-22.57,;5.47,-21.21,;4.67,-22.52,;4.73,-19.86,;3.93,-21.2,)|
Show InChI InChI=1S/C22H25Cl2F3N4/c1-4-7-29(10-15-5-6-15)11-17-20(22(25,26)27)28-21-30(17)12-18(24)31(21)19-14(3)8-13(2)9-16(19)23/h8-9,12,15H,4-7,10-11H2,1-3H3
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4.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319896
PNG
(CHEMBL1084999 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCCN(CC=C)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(37.74,-27.89,;36.2,-27.87,;35.41,-29.19,;33.87,-29.17,;33.12,-27.83,;31.58,-27.8,;30.83,-26.46,;33.08,-30.49,;33.53,-31.97,;32.59,-33.2,;33.47,-34.47,;34.95,-34.02,;36.42,-34.53,;37.35,-33.3,;38.89,-33.33,;36.47,-32.03,;34.98,-32.48,;37.18,-35.87,;38.71,-35.86,;39.48,-34.53,;39.48,-37.19,;38.71,-38.53,;39.47,-39.87,;37.16,-38.53,;36.4,-37.19,;34.86,-37.18,;31.05,-33.17,;30.3,-31.82,;30.25,-34.49,;29.5,-33.16,)|
Show InChI InChI=1S/C22H26ClF3N4/c1-6-8-28(9-7-2)12-17-20(22(24,25)26)27-21-29(17)13-18(23)30(21)19-15(4)10-14(3)11-16(19)5/h6,10-11,13H,1,7-9,12H2,2-5H3
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4.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319906
PNG
(CHEMBL1083933 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CC3CC3)CC(F)(F)F)c(nc12)C(F)(F)F |(13.95,-9.34,;13.19,-8.01,;13.96,-6.67,;13.19,-5.34,;13.96,-4,;11.66,-5.34,;10.88,-6.67,;9.34,-6.66,;11.65,-8,;10.9,-4,;11.83,-2.77,;13.37,-2.8,;10.95,-1.51,;9.47,-1.95,;8.01,-1.44,;7.56,.03,;8.35,1.36,;7.6,2.7,;8.39,4.02,;9.74,4.77,;8.41,5.56,;9.89,1.34,;10.68,2.66,;12.22,2.64,;9.93,4,;11.44,4,;7.07,-2.67,;7.95,-3.94,;9.43,-3.5,;5.53,-2.64,;4.79,-1.29,;4.73,-3.96,;3.98,-2.63,)|
Show InChI InChI=1S/C22H23ClF6N4/c1-12-6-13(2)18(14(3)7-12)33-17(23)10-32-16(19(22(27,28)29)30-20(32)33)9-31(8-15-4-5-15)11-21(24,25)26/h6-7,10,15H,4-5,8-9,11H2,1-3H3
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5.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319893
PNG
(CHEMBL1083952 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCCN(CC1CCC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(25.09,-41.84,;23.55,-41.82,;22.77,-43.15,;21.23,-43.12,;20.47,-41.78,;18.93,-41.76,;17.87,-40.66,;16.76,-41.73,;17.84,-42.83,;20.44,-44.45,;20.88,-45.92,;19.94,-47.16,;20.82,-48.43,;22.3,-47.98,;23.77,-48.48,;24.7,-47.25,;26.24,-47.28,;23.82,-45.99,;22.34,-46.43,;24.53,-49.82,;26.06,-49.82,;26.83,-48.48,;26.83,-51.15,;26.06,-52.49,;26.83,-53.82,;24.52,-52.48,;23.75,-51.15,;22.21,-51.14,;18.4,-47.12,;17.66,-45.77,;17.6,-48.44,;16.85,-47.11,)|
Show InChI InChI=1S/C24H30ClF3N4/c1-5-9-30(12-18-7-6-8-18)13-19-22(24(26,27)28)29-23-31(19)14-20(25)32(23)21-16(3)10-15(2)11-17(21)4/h10-11,14,18H,5-9,12-13H2,1-4H3
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5.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319869
PNG
(CHEMBL1086504 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCN(CCc1ccccc1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(32.64,-10.29,;31.85,-11.62,;32.6,-12.96,;34.14,-12.99,;34.89,-14.34,;36.43,-14.37,;37.16,-15.72,;38.7,-15.75,;39.5,-14.43,;38.75,-13.08,;37.21,-13.06,;31.82,-14.28,;32.26,-15.76,;31.32,-16.99,;32.2,-18.26,;33.68,-17.82,;35.15,-18.32,;36.08,-17.09,;37.62,-17.12,;35.2,-15.82,;33.72,-16.27,;35.91,-19.66,;37.44,-19.66,;38.21,-18.32,;38.21,-20.99,;37.44,-22.33,;38.21,-23.66,;35.9,-22.32,;35.13,-20.98,;33.59,-20.98,;29.78,-16.96,;29.04,-15.61,;28.98,-18.28,;28.23,-16.95,)|
Show InChI InChI=1S/C26H28ClF3N4/c1-5-32(12-11-20-9-7-6-8-10-20)15-21-24(26(28,29)30)31-25-33(21)16-22(27)34(25)23-18(3)13-17(2)14-19(23)4/h6-10,13-14,16H,5,11-12,15H2,1-4H3
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319890
PNG
(CHEMBL1082696 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC3CC3)CC(F)(F)F)c(nc12)C(F)(F)F |(13.64,-7.82,;12.88,-6.48,;13.65,-5.14,;12.88,-3.81,;13.65,-2.48,;11.35,-3.81,;10.57,-5.14,;9.03,-5.13,;11.33,-6.48,;10.59,-2.48,;11.52,-1.24,;13.06,-1.27,;10.64,.02,;9.15,-.43,;7.7,.08,;7.25,1.56,;8.04,2.88,;7.29,4.23,;5.75,4.25,;5,5.59,;5.03,7.12,;3.69,6.37,;9.58,2.86,;10.37,4.18,;11.91,4.16,;9.62,5.53,;11.13,5.52,;6.76,-1.15,;7.64,-2.42,;9.12,-1.97,;5.22,-1.12,;4.47,.23,;4.42,-2.43,;3.67,-1.1,)|
Show InChI InChI=1S/C23H25ClF6N4/c1-13-8-14(2)19(15(3)9-13)34-18(24)11-33-17(20(23(28,29)30)31-21(33)34)10-32(12-22(25,26)27)7-6-16-4-5-16/h8-9,11,16H,4-7,10,12H2,1-3H3
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6.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314008
PNG
(CHEMBL1087165 | N-(cyclopropylmethyl)-2,2,2-triflu...)
Show SMILES Cc1cc(C)c(N2CCCn3c(CN(CC4CC4)CC(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C23H28F6N4/c1-14-9-15(2)19(16(3)10-14)33-8-4-7-32-18(20(23(27,28)29)30-21(32)33)12-31(11-17-5-6-17)13-22(24,25)26/h9-10,17H,4-8,11-13H2,1-3H3
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319903
PNG
(CHEMBL1082302 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)CC(F)(F)F |(-3.08,-13.39,;-4.62,-13.36,;-5.37,-12.02,;-6.91,-12,;-7.7,-13.32,;-7.26,-14.8,;-8.2,-16.03,;-7.32,-17.3,;-5.84,-16.85,;-4.37,-17.36,;-3.44,-16.12,;-1.9,-16.15,;-4.32,-14.86,;-5.8,-15.3,;-3.61,-18.69,;-2.08,-18.69,;-1.31,-17.36,;-1.31,-20.02,;-2.08,-21.36,;-1.31,-22.7,;-3.62,-21.36,;-4.39,-20.02,;-5.93,-20.01,;-9.74,-16,;-10.48,-14.65,;-10.54,-17.31,;-11.29,-15.98,;-7.67,-10.65,;-6.88,-9.33,;-5.34,-9.35,;-7.63,-7.99,;-6.12,-7.99,)|
Show InChI InChI=1S/C21H23ClF6N4/c1-5-6-30(11-20(23,24)25)9-15-18(21(26,27)28)29-19-31(15)10-16(22)32(19)17-13(3)7-12(2)8-14(17)4/h7-8,10H,5-6,9,11H2,1-4H3
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8.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319905
PNG
(CHEMBL1083319 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCN(CC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(23.51,2.87,;22.73,1.55,;21.19,1.57,;20.44,2.91,;21.22,4.23,;22.57,4.98,;21.25,5.77,;20.4,.24,;20.84,-1.23,;19.9,-2.46,;20.78,-3.73,;22.27,-3.29,;23.73,-3.79,;24.66,-2.56,;26.2,-2.59,;23.78,-1.3,;22.3,-1.74,;24.5,-5.13,;26.03,-5.13,;26.79,-3.79,;26.79,-6.46,;26.02,-7.8,;26.79,-9.13,;24.48,-7.79,;23.71,-6.46,;22.17,-6.45,;18.36,-2.43,;17.62,-1.08,;17.56,-3.75,;16.82,-2.42,)|
Show InChI InChI=1S/C22H26ClF3N4/c1-5-28(10-16-6-7-16)11-17-20(22(24,25)26)27-21-29(17)12-18(23)30(21)19-14(3)8-13(2)9-15(19)4/h8-9,12,16H,5-7,10-11H2,1-4H3
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319907
PNG
(CHEMBL1086468 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCCN(CC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(-1.4,.94,;-2.94,.96,;-3.69,2.31,;-5.23,2.33,;-5.98,3.67,;-5.19,5,;-3.84,5.75,;-5.17,6.53,;-6.02,1.01,;-5.57,-.47,;-6.51,-1.7,;-5.63,-2.97,;-4.15,-2.52,;-2.68,-3.03,;-1.75,-1.8,;-.21,-1.83,;-2.63,-.53,;-4.11,-.98,;-1.92,-4.37,;-.39,-4.36,;.38,-3.03,;.38,-5.69,;-.39,-7.03,;.37,-8.37,;-1.93,-7.03,;-2.7,-5.69,;-4.24,-5.68,;-8.05,-1.67,;-8.79,-.32,;-8.85,-2.99,;-9.6,-1.66,)|
Show InChI InChI=1S/C23H28ClF3N4/c1-5-8-29(11-17-6-7-17)12-18-21(23(25,26)27)28-22-30(18)13-19(24)31(22)20-15(3)9-14(2)10-16(20)4/h9-10,13,17H,5-8,11-12H2,1-4H3
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9.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319902
PNG
(CHEMBL1083935 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCCN(CCC(F)(F)F)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(7.09,-10.64,;5.55,-10.62,;4.76,-11.94,;5.51,-13.29,;7.05,-13.31,;7.81,-14.65,;9.35,-14.68,;10.13,-13.35,;10.1,-16.02,;10.88,-14.67,;4.73,-14.61,;5.17,-16.09,;4.23,-17.32,;5.11,-18.59,;6.59,-18.14,;8.06,-18.65,;8.99,-17.41,;10.53,-17.44,;8.11,-16.15,;6.63,-16.6,;8.82,-19.98,;10.35,-19.98,;11.12,-18.65,;11.12,-21.31,;10.35,-22.65,;11.12,-23.99,;8.81,-22.65,;8.04,-21.31,;6.5,-21.3,;2.69,-17.29,;1.95,-15.94,;1.89,-18.6,;1.14,-17.27,)|
Show InChI InChI=1S/C22H25ClF6N4/c1-5-7-31(8-6-21(24,25)26)11-16-19(22(27,28)29)30-20-32(16)12-17(23)33(20)18-14(3)9-13(2)10-15(18)4/h9-10,12H,5-8,11H2,1-4H3
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319882
PNG
(CHEMBL1082338 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC(F)(F)F)Cc3ccc(Cl)cc3)c(nc12)C(F)(F)F |(14.51,-39.05,;13.75,-37.72,;14.52,-36.38,;13.75,-35.05,;14.52,-33.71,;12.22,-35.05,;11.44,-36.38,;9.9,-36.37,;12.21,-37.71,;11.46,-33.71,;12.39,-32.48,;13.93,-32.51,;11.51,-31.22,;10.03,-31.66,;8.57,-31.15,;8.12,-29.68,;8.91,-28.35,;8.16,-27.01,;6.62,-26.99,;5.87,-25.64,;4.33,-25.62,;6.66,-24.32,;5.09,-24.31,;10.45,-28.38,;11.24,-27.05,;12.78,-27.11,;13.59,-25.8,;12.87,-24.44,;13.68,-23.14,;11.32,-24.39,;10.51,-25.7,;7.63,-32.39,;8.51,-33.66,;9.99,-33.21,;6.09,-32.35,;5.35,-31,;5.29,-33.67,;4.54,-32.34,)|
Show InChI InChI=1S/C26H24Cl2F6N4/c1-15-10-16(2)22(17(3)11-15)38-21(28)14-37-20(23(26(32,33)34)35-24(37)38)13-36(9-8-25(29,30)31)12-18-4-6-19(27)7-5-18/h4-7,10-11,14H,8-9,12-13H2,1-3H3
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319848
PNG
(CHEMBL1083922 | N-((2-chloro-1-(4-methoxy-2-methyl...)
Show SMILES CCCN(CC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1ccc(OC)cc1C)C(F)(F)F |(10.57,-13.82,;10.58,-15.36,;9.26,-16.14,;9.27,-17.68,;10.61,-18.44,;11.94,-17.66,;13.47,-17.64,;12.69,-16.32,;7.94,-18.46,;7.95,-20.01,;7.01,-21.24,;7.9,-22.51,;9.38,-22.06,;10.84,-22.57,;11.77,-21.33,;13.31,-21.36,;10.89,-20.07,;9.41,-20.52,;11.61,-23.9,;13.14,-23.9,;13.91,-25.23,;13.13,-26.57,;13.9,-27.91,;13.13,-29.24,;11.59,-26.57,;10.83,-25.23,;9.29,-25.22,;5.47,-21.21,;4.67,-22.52,;4.73,-19.86,;3.93,-21.2,)|
Show InChI InChI=1S/C22H26ClF3N4O/c1-4-9-28(11-15-5-6-15)12-18-20(22(24,25)26)27-21-29(18)13-19(23)30(21)17-8-7-16(31-3)10-14(17)2/h7-8,10,13,15H,4-6,9,11-12H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319889
PNG
(CHEMBL1086594 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCN(CCC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(24.53,3.43,;23.75,2.11,;22.21,2.13,;21.45,3.47,;19.91,3.49,;19.16,4.84,;19.19,6.37,;17.85,5.62,;21.42,.8,;21.86,-.67,;20.92,-1.9,;21.8,-3.17,;23.28,-2.73,;24.75,-3.23,;25.68,-2,;27.22,-2.03,;24.8,-.74,;23.32,-1.18,;25.51,-4.57,;27.04,-4.57,;27.81,-3.23,;27.81,-5.9,;27.04,-7.24,;27.81,-8.57,;25.5,-7.23,;24.73,-5.9,;23.19,-5.89,;19.38,-1.87,;18.64,-.52,;18.58,-3.19,;17.83,-1.86,)|
Show InChI InChI=1S/C23H28ClF3N4/c1-5-29(9-8-17-6-7-17)12-18-21(23(25,26)27)28-22-30(18)13-19(24)31(22)20-15(3)10-14(2)11-16(20)4/h10-11,13,17H,5-9,12H2,1-4H3
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319892
PNG
(CHEMBL1084235 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CC3CCC3)CC(F)(F)F)c(nc12)C(F)(F)F |(39.7,-54.94,;38.93,-53.61,;39.71,-52.27,;38.94,-50.94,;39.7,-49.6,;37.41,-50.94,;36.62,-52.27,;35.09,-52.26,;37.39,-53.6,;36.64,-49.6,;37.57,-48.37,;39.11,-48.4,;36.69,-47.11,;35.21,-47.55,;33.75,-47.04,;33.31,-45.57,;34.1,-44.24,;33.35,-42.9,;31.81,-42.88,;30.74,-41.78,;29.64,-42.85,;30.71,-43.95,;35.64,-44.27,;36.43,-42.94,;37.97,-42.96,;35.67,-41.6,;37.19,-41.6,;32.81,-48.28,;33.7,-49.55,;35.18,-49.1,;31.27,-48.24,;30.53,-46.89,;30.47,-49.56,;29.73,-48.23,)|
Show InChI InChI=1S/C23H25ClF6N4/c1-13-7-14(2)19(15(3)8-13)34-18(24)11-33-17(20(23(28,29)30)31-21(33)34)10-32(12-22(25,26)27)9-16-5-4-6-16/h7-8,11,16H,4-6,9-10,12H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319895
PNG
(CHEMBL1085265 | N-allyl-N-((2-chloro-1-mesityl-6-(...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CC=C)CC=C)c(nc12)C(F)(F)F |(.11,-53.08,;-.66,-51.75,;.12,-50.41,;-.65,-49.08,;.12,-47.74,;-2.18,-49.08,;-2.96,-50.41,;-4.5,-50.4,;-2.2,-51.74,;-2.95,-47.75,;-2.02,-46.51,;-.48,-46.54,;-2.9,-45.25,;-4.38,-45.69,;-5.84,-45.18,;-6.28,-43.71,;-5.49,-42.39,;-6.24,-41.04,;-7.78,-41.02,;-8.53,-39.67,;-3.95,-42.41,;-3.16,-41.08,;-1.62,-41.11,;-6.78,-46.42,;-5.89,-47.69,;-4.41,-47.24,;-8.32,-46.38,;-9.06,-45.03,;-9.12,-47.7,;-9.86,-46.37,)|
Show InChI InChI=1S/C22H24ClF3N4/c1-6-8-28(9-7-2)12-17-20(22(24,25)26)27-21-29(17)13-18(23)30(21)19-15(4)10-14(3)11-16(19)5/h6-7,10-11,13H,1-2,8-9,12H2,3-5H3
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314009
PNG
(CHEMBL1087166 | N-(cyclopropylmethyl)-2,2,3,3,3-pe...)
Show SMILES Cc1cc(C)c(N2CCCn3c(CN(CC4CC4)CC(F)(F)C(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C24H28F8N4/c1-14-9-15(2)19(16(3)10-14)36-8-4-7-35-18(20(23(27,28)29)33-21(35)36)12-34(11-17-5-6-17)13-22(25,26)24(30,31)32/h9-10,17H,4-8,11-13H2,1-3H3
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319891
PNG
(CHEMBL1084511 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCN(CC1CCC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(-2.09,5.36,;-2.88,4.03,;-4.42,4.06,;-5.17,5.4,;-6.71,5.42,;-7.77,6.52,;-8.88,5.45,;-7.81,4.35,;-5.21,2.73,;-4.76,1.26,;-5.7,.02,;-4.82,-1.25,;-3.34,-.8,;-1.87,-1.3,;-.94,-.07,;.6,-.1,;-1.82,1.19,;-3.31,.75,;-1.11,-2.64,;.42,-2.64,;1.19,-1.3,;1.19,-3.97,;.42,-5.31,;1.18,-6.64,;-1.13,-5.3,;-1.89,-3.97,;-3.43,-3.96,;-7.24,.06,;-7.99,1.41,;-8.04,-1.26,;-8.79,.07,)|
Show InChI InChI=1S/C23H28ClF3N4/c1-5-29(11-17-7-6-8-17)12-18-21(23(25,26)27)28-22-30(18)13-19(24)31(22)20-15(3)9-14(2)10-16(20)4/h9-10,13,17H,5-8,11-12H2,1-4H3
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319904
PNG
(CHEMBL1083320 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC(F)(F)F)CC3CC3)c(nc12)C(F)(F)F |(40.08,-10.57,;39.31,-9.24,;40.09,-7.9,;39.32,-6.57,;40.09,-5.23,;37.79,-6.57,;37.01,-7.89,;35.47,-7.89,;37.77,-9.23,;37.02,-5.23,;37.95,-4,;39.49,-4.03,;37.07,-2.73,;35.59,-3.18,;34.13,-2.67,;33.69,-1.19,;34.48,.13,;36.02,.11,;36.81,1.43,;38.35,1.41,;39.14,2.73,;39.1,.06,;39.88,1.41,;33.73,1.47,;34.52,2.8,;35.86,3.54,;34.54,4.33,;33.19,-3.9,;34.08,-5.17,;35.56,-4.73,;31.65,-3.87,;30.91,-2.52,;30.85,-5.19,;30.11,-3.86,)|
Show InChI InChI=1S/C23H25ClF6N4/c1-13-8-14(2)19(15(3)9-13)34-18(24)12-33-17(20(23(28,29)30)31-21(33)34)11-32(10-16-4-5-16)7-6-22(25,26)27/h8-9,12,16H,4-7,10-11H2,1-3H3
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314010
PNG
(CHEMBL1087167 | N,N-diallyl-8-mesityl-2-(trifluoro...)
Show SMILES Cc1cc(C)c(N2CCCn3c2nc(c3C(=O)N(CC=C)CC=C)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C23H27F3N4O/c1-6-9-28(10-7-2)21(31)19-20(23(24,25)26)27-22-29(11-8-12-30(19)22)18-16(4)13-15(3)14-17(18)5/h6-7,13-14H,1-2,8-12H2,3-5H3
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19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314011
PNG
(CHEMBL1088478 | N-(cyclobutylmethyl)-N-((8-mesityl...)
Show SMILES CCCN(CC1CCC1)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C25H35F3N4/c1-5-10-30(15-20-8-6-9-20)16-21-23(25(26,27)28)29-24-31(21)11-7-12-32(24)22-18(3)13-17(2)14-19(22)4/h13-14,20H,5-12,15-16H2,1-4H3
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319870
PNG
(CHEMBL1083102 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCCN(CCc1ccccc1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(17.66,-9.5,;18.41,-10.85,;17.62,-12.17,;18.37,-13.51,;19.91,-13.54,;20.65,-14.89,;22.19,-14.92,;22.93,-16.27,;24.47,-16.3,;25.26,-14.99,;24.51,-13.63,;22.98,-13.61,;17.58,-14.84,;18.03,-16.31,;17.08,-17.55,;17.97,-18.82,;19.45,-18.37,;20.91,-18.87,;21.85,-17.64,;23.38,-17.67,;20.96,-16.38,;19.48,-16.82,;21.68,-20.21,;23.21,-20.21,;23.98,-18.87,;23.98,-21.54,;23.2,-22.88,;23.97,-24.21,;21.66,-22.87,;20.9,-21.54,;19.36,-21.53,;15.54,-17.51,;14.8,-16.16,;14.75,-18.83,;14,-17.5,)|
Show InChI InChI=1S/C27H30ClF3N4/c1-5-12-33(13-11-21-9-7-6-8-10-21)16-22-25(27(29,30)31)32-26-34(22)17-23(28)35(26)24-19(3)14-18(2)15-20(24)4/h6-10,14-15,17H,5,11-13,16H2,1-4H3
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314012
PNG
(CHEMBL1088624 | N-(cyclobutylmethyl)-2,2,2-trifluo...)
Show SMILES Cc1cc(C)c(N2CCCn3c(CN(CC4CCC4)CC(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C24H30F6N4/c1-15-10-16(2)20(17(3)11-15)34-9-5-8-33-19(21(24(28,29)30)31-22(33)34)13-32(14-23(25,26)27)12-18-6-4-7-18/h10-11,18H,4-9,12-14H2,1-3H3
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27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319878
PNG
(CHEMBL1083611 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccc(Cl)cc1 |(11.41,-43.56,;9.87,-43.53,;9.08,-44.85,;7.54,-44.82,;6.75,-46.14,;7.19,-47.62,;6.25,-48.85,;7.13,-50.12,;8.62,-49.67,;10.08,-50.18,;11.01,-48.95,;12.55,-48.97,;10.13,-47.68,;8.65,-48.13,;10.85,-51.52,;12.38,-51.51,;13.14,-50.18,;13.14,-52.84,;12.37,-54.18,;13.14,-55.52,;10.83,-54.18,;10.06,-52.84,;8.52,-52.83,;4.71,-48.82,;3.97,-47.47,;3.91,-50.13,;3.17,-48.81,;6.79,-43.47,;7.58,-42.15,;9.12,-42.21,;9.93,-40.91,;9.21,-39.55,;10.02,-38.24,;7.66,-39.5,;6.85,-40.81,)|
Show InChI InChI=1S/C26H27Cl2F3N4/c1-5-10-33(13-19-6-8-20(27)9-7-19)14-21-24(26(29,30)31)32-25-34(21)15-22(28)35(25)23-17(3)11-16(2)12-18(23)4/h6-9,11-12,15H,5,10,13-14H2,1-4H3
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314013
PNG
(CHEMBL1088625 | N-(cyclopropylmethyl)-N-((8-mesity...)
Show SMILES CCN(CC1CC1)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C23H31F3N4/c1-5-28(13-18-7-8-18)14-19-21(23(24,25)26)27-22-29(19)9-6-10-30(22)20-16(3)11-15(2)12-17(20)4/h11-12,18H,5-10,13-14H2,1-4H3
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31n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319901
PNG
(CHEMBL1082685 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCCN(CCOC)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(20.12,-11.06,;18.58,-11.03,;17.79,-12.36,;18.54,-13.7,;20.08,-13.72,;20.83,-15.07,;22.37,-15.09,;23.12,-16.43,;17.75,-15.02,;18.2,-16.5,;17.26,-17.73,;18.14,-19,;19.62,-18.55,;21.09,-19.06,;22.02,-17.83,;23.56,-17.86,;21.14,-16.56,;19.65,-17.01,;21.85,-20.4,;23.38,-20.39,;24.15,-19.06,;24.15,-21.72,;23.38,-23.06,;24.14,-24.4,;21.83,-23.06,;21.07,-21.72,;19.53,-21.71,;15.72,-17.7,;14.97,-16.35,;14.92,-19.02,;14.17,-17.69,)|
Show InChI InChI=1S/C22H28ClF3N4O/c1-6-7-28(8-9-31-5)12-17-20(22(24,25)26)27-21-29(17)13-18(23)30(21)19-15(3)10-14(2)11-16(19)4/h10-11,13H,6-9,12H2,1-5H3
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32n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314007
PNG
(CHEMBL1087164 | N-(cyclopropylmethyl)-N-((8-mesity...)
Show SMILES CCCN(CC1CC1)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C24H33F3N4/c1-5-9-29(14-19-7-8-19)15-20-22(24(25,26)27)28-23-30(20)10-6-11-31(23)21-17(3)12-16(2)13-18(21)4/h12-13,19H,5-11,14-15H2,1-4H3
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32n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319851
PNG
(2-chloro-N-(cyclopropylmethyl)-1-mesityl-N-propyl-...)
Show SMILES CCCN(CC1CC1)C(=O)c1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(4.59,3.36,;4.51,1.83,;5.81,.99,;7.18,1.7,;7.25,3.24,;5.86,3.88,;5,5.17,;4.32,3.79,;8.48,.87,;9.26,2.19,;9.24,-.48,;8.3,-1.71,;9.18,-2.98,;10.66,-2.53,;12.13,-3.04,;13.06,-1.8,;14.6,-1.83,;12.18,-.54,;10.69,-.99,;12.89,-4.37,;14.42,-4.37,;15.19,-3.04,;15.19,-5.7,;14.42,-7.04,;15.18,-8.38,;12.87,-7.04,;12.11,-5.7,;10.57,-5.69,;6.76,-1.68,;5.96,-2.99,;6.01,-.33,;5.21,-1.67,)|
Show InChI InChI=1S/C23H26ClF3N4O/c1-5-8-29(11-16-6-7-16)21(32)19-20(23(25,26)27)28-22-30(19)12-17(24)31(22)18-14(3)9-13(2)10-15(18)4/h9-10,12,16H,5-8,11H2,1-4H3
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33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319884
PNG
(CHEMBL1082963 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC(F)(F)F)Cc3ccc(F)cc3)c(nc12)C(F)(F)F |(40.1,-24.86,;39.33,-23.52,;40.1,-22.18,;39.33,-20.85,;40.1,-19.52,;37.8,-20.86,;37.02,-22.18,;35.48,-22.17,;37.79,-23.52,;37.04,-19.52,;37.97,-18.29,;39.51,-18.31,;37.09,-17.02,;35.61,-17.47,;34.15,-16.96,;33.71,-15.48,;34.49,-14.16,;33.74,-12.82,;32.2,-12.79,;31.45,-11.45,;29.91,-11.43,;32.24,-10.13,;30.67,-10.11,;36.03,-14.18,;36.82,-12.86,;38.36,-12.86,;39.13,-11.52,;38.35,-10.19,;39.11,-8.85,;36.8,-10.2,;36.05,-11.54,;33.21,-18.19,;34.09,-19.46,;35.57,-19.01,;31.67,-18.16,;30.93,-16.81,;30.87,-19.47,;30.12,-18.15,)|
Show InChI InChI=1S/C26H24ClF7N4/c1-15-10-16(2)22(17(3)11-15)38-21(27)14-37-20(23(26(32,33)34)35-24(37)38)13-36(9-8-25(29,30)31)12-18-4-6-19(28)7-5-18/h4-7,10-11,14H,8-9,12-13H2,1-3H3
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34n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314015
PNG
(2,2,2-trifluoro-N-((8-mesityl-2-(trifluoromethyl)-...)
Show SMILES Cc1cc(C)c(N2CCCn3c(CN(CCc4ccccc4)CC(F)(F)F)c(nc23)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C27H30F6N4/c1-18-14-19(2)23(20(3)15-18)37-12-7-11-36-22(24(27(31,32)33)34-25(36)37)16-35(17-26(28,29)30)13-10-21-8-5-4-6-9-21/h4-6,8-9,14-15H,7,10-13,16-17H2,1-3H3
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38n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319886
PNG
(CHEMBL1083035 | N-benzyl-N-((2-chloro-1-mesityl-6-...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC(F)(F)F)Cc3ccccc3)c(nc12)C(F)(F)F |(14.51,-23.86,;13.74,-22.52,;14.51,-21.18,;13.74,-19.85,;14.51,-18.52,;12.21,-19.85,;11.43,-21.18,;9.89,-21.17,;12.2,-22.51,;11.45,-18.52,;12.38,-17.28,;13.92,-17.31,;11.5,-16.02,;10.02,-16.46,;8.56,-15.95,;8.12,-14.48,;8.91,-13.16,;8.15,-11.81,;6.61,-11.79,;5.86,-10.45,;4.32,-10.42,;6.65,-9.12,;5.08,-9.11,;10.45,-13.18,;11.23,-11.86,;12.77,-11.88,;13.55,-10.56,;12.8,-9.22,;11.26,-9.2,;10.47,-10.52,;7.62,-17.19,;8.5,-18.46,;9.98,-18.01,;6.08,-17.15,;5.34,-15.8,;5.28,-18.47,;4.53,-17.14,)|
Show InChI InChI=1S/C26H25ClF6N4/c1-16-11-17(2)22(18(3)12-16)37-21(27)15-36-20(23(26(31,32)33)34-24(36)37)14-35(10-9-25(28,29)30)13-19-7-5-4-6-8-19/h4-8,11-12,15H,9-10,13-14H2,1-3H3
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43n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314016
PNG
(CHEMBL1077156 | N-((8-mesityl-2-(trifluoromethyl)-...)
Show SMILES CCCN(CC=C)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C23H31F3N4/c1-6-9-28(10-7-2)15-19-21(23(24,25)26)27-22-29(19)11-8-12-30(22)20-17(4)13-16(3)14-18(20)5/h6,13-14H,1,7-12,15H2,2-5H3
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48n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319885
PNG
(CHEMBL1083036 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC(F)(F)F)Cc3cccc(F)c3)c(nc12)C(F)(F)F |(27.3,-24.04,;26.53,-22.71,;27.31,-21.37,;26.54,-20.04,;27.31,-18.7,;25.01,-20.04,;24.23,-21.37,;22.69,-21.36,;24.99,-22.7,;24.24,-18.7,;25.17,-17.47,;26.71,-17.5,;24.29,-16.21,;22.81,-16.65,;21.35,-16.14,;20.91,-14.67,;21.7,-13.34,;20.95,-12,;19.41,-11.98,;18.66,-10.63,;17.12,-10.61,;19.45,-9.31,;17.87,-9.29,;23.24,-13.36,;24.02,-12.05,;25.56,-12.12,;26.39,-10.82,;25.68,-9.45,;24.13,-9.39,;23.42,-8.02,;23.31,-10.68,;20.41,-17.37,;21.3,-18.64,;22.78,-18.2,;18.87,-17.34,;18.13,-15.99,;18.07,-18.66,;17.33,-17.33,)|
Show InChI InChI=1S/C26H24ClF7N4/c1-15-9-16(2)22(17(3)10-15)38-21(27)14-37-20(23(26(32,33)34)35-24(37)38)13-36(8-7-25(29,30)31)12-18-5-4-6-19(28)11-18/h4-6,9-11,14H,7-8,12-13H2,1-3H3
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49n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319888
PNG
(CHEMBL1082697 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCCN(CCC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(38.9,3.33,;37.36,3.35,;36.57,2.03,;35.03,2.05,;34.28,3.39,;32.74,3.42,;31.99,4.76,;32.02,6.29,;30.67,5.54,;34.24,.73,;34.69,-.75,;33.74,-1.98,;34.63,-3.25,;36.11,-2.8,;37.57,-3.31,;38.51,-2.08,;40.04,-2.11,;37.62,-.81,;36.14,-1.26,;38.34,-4.65,;39.87,-4.64,;40.64,-3.31,;40.64,-5.97,;39.86,-7.31,;40.63,-8.65,;38.32,-7.31,;37.56,-5.97,;36.02,-5.96,;32.2,-1.95,;31.46,-.6,;31.41,-3.27,;30.66,-1.94,)|
Show InChI InChI=1S/C24H30ClF3N4/c1-5-9-30(10-8-18-6-7-18)13-19-22(24(26,27)28)29-23-31(19)14-20(25)32(23)21-16(3)11-15(2)12-17(21)4/h11-12,14,18H,5-10,13H2,1-4H3
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53n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319852
PNG
(2-chloro-N-(cyclopropylmethyl)-1-mesityl-6-methyl-...)
Show SMILES CCCN(CC1CC1)C(=O)c1c(C)nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C |(-9.7,.22,;-8.92,1.55,;-7.38,1.54,;-6.6,2.87,;-7.36,4.21,;-8.9,4.22,;-10.23,5,;-10.24,3.46,;-5.06,2.86,;-4.28,4.18,;-4.3,1.52,;-5.24,.28,;-6.78,.31,;-4.35,-.99,;-2.87,-.54,;-1.41,-1.05,;-.48,.19,;1.06,.16,;-1.36,1.45,;-2.84,1.01,;-.64,-2.38,;.89,-2.38,;1.66,-1.05,;1.66,-3.71,;.88,-5.05,;1.65,-6.39,;-.66,-5.05,;-1.42,-3.71,;-2.96,-3.7,)|
Show InChI InChI=1S/C23H29ClN4O/c1-6-9-26(12-18-7-8-18)22(29)21-17(5)25-23-27(21)13-19(24)28(23)20-15(3)10-14(2)11-16(20)4/h10-11,13,18H,6-9,12H2,1-5H3
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61n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314017
PNG
(3,3,3-trifluoro-N-((8-mesityl-2-(trifluoromethyl)-...)
Show SMILES CCCN(CCC(F)(F)F)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C23H30F6N4/c1-5-8-31(11-7-22(24,25)26)14-18-20(23(27,28)29)30-21-32(18)9-6-10-33(21)19-16(3)12-15(2)13-17(19)4/h12-13H,5-11,14H2,1-4H3
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63n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319894
PNG
(CHEMBL1085518 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCN(CC(C)=C)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(10.8,-41.01,;10.01,-42.34,;8.47,-42.32,;7.72,-40.97,;6.18,-40.95,;5.39,-42.27,;5.43,-39.6,;7.68,-43.64,;8.12,-45.11,;7.18,-46.35,;8.07,-47.62,;9.55,-47.17,;11.01,-47.68,;11.94,-46.44,;13.48,-46.47,;11.06,-45.18,;9.58,-45.62,;11.78,-49.01,;13.31,-49.01,;14.08,-47.67,;14.08,-50.34,;13.3,-51.68,;14.07,-53.01,;11.76,-51.67,;11,-50.34,;9.46,-50.33,;5.64,-46.31,;4.9,-44.96,;4.84,-47.63,;4.1,-46.3,)|
Show InChI InChI=1S/C22H26ClF3N4/c1-7-28(10-13(2)3)11-17-20(22(24,25)26)27-21-29(17)12-18(23)30(21)19-15(5)8-14(4)9-16(19)6/h8-9,12H,2,7,10-11H2,1,3-6H3
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67n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314014
PNG
(CHEMBL1088626 | N-((8-mesityl-2-(trifluoromethyl)-...)
Show SMILES CCCN(CCc1ccccc1)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C28H35F3N4/c1-5-13-33(16-12-23-10-7-6-8-11-23)19-24-26(28(29,30)31)32-27-34(24)14-9-15-35(27)25-21(3)17-20(2)18-22(25)4/h6-8,10-11,17-18H,5,9,12-16,19H2,1-4H3
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67n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319900
PNG
(CHEMBL1082686 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCCN(CCC)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(32.18,-11.16,;30.64,-11.14,;29.85,-12.47,;30.61,-13.81,;32.15,-13.83,;32.9,-15.18,;34.44,-15.2,;29.82,-15.13,;30.26,-16.61,;29.32,-17.84,;30.2,-19.11,;31.68,-18.66,;33.15,-19.17,;34.08,-17.94,;35.62,-17.96,;33.2,-16.67,;31.72,-17.12,;33.91,-20.51,;35.44,-20.5,;36.21,-19.17,;36.21,-21.83,;35.44,-23.17,;36.21,-24.51,;33.9,-23.17,;33.13,-21.83,;31.59,-21.82,;27.78,-17.81,;27.04,-16.46,;26.98,-19.12,;26.23,-17.8,)|
Show InChI InChI=1S/C22H28ClF3N4/c1-6-8-28(9-7-2)12-17-20(22(24,25)26)27-21-29(17)13-18(23)30(21)19-15(4)10-14(3)11-16(19)5/h10-11,13H,6-9,12H2,1-5H3
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69n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319898
PNG
(CHEMBL1086142 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCCCN(CC)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(10.63,-24.58,;9.84,-25.9,;8.31,-25.88,;7.52,-27.2,;8.27,-28.55,;9.81,-28.57,;10.56,-29.91,;7.48,-29.87,;7.92,-31.35,;6.98,-32.58,;7.87,-33.85,;9.35,-33.4,;10.81,-33.91,;11.74,-32.67,;13.28,-32.7,;10.86,-31.41,;9.38,-31.86,;11.58,-35.24,;13.11,-35.24,;13.87,-33.91,;13.88,-36.57,;13.1,-37.91,;13.87,-39.25,;11.56,-37.91,;10.79,-36.57,;9.26,-36.56,;5.44,-32.55,;4.7,-31.2,;4.64,-33.86,;3.9,-32.53,)|
Show InChI InChI=1S/C22H28ClF3N4/c1-6-8-9-28(7-2)12-17-20(22(24,25)26)27-21-29(17)13-18(23)30(21)19-15(4)10-14(3)11-16(19)5/h10-11,13H,6-9,12H2,1-5H3
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78n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319887
PNG
(CHEMBL1082720 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC3CC3)CCC(F)(F)F)c(nc12)C(F)(F)F |(.95,-22.49,;.18,-21.15,;.96,-19.81,;.19,-18.48,;.96,-17.15,;-1.34,-18.48,;-2.12,-19.81,;-3.66,-19.8,;-1.36,-21.15,;-2.11,-17.15,;-1.18,-15.91,;.36,-15.94,;-2.06,-14.65,;-3.54,-15.09,;-5,-14.59,;-5.44,-13.11,;-4.65,-11.79,;-5.4,-10.44,;-6.94,-10.42,;-7.69,-9.08,;-7.66,-7.54,;-9.01,-8.3,;-3.11,-11.81,;-2.32,-10.49,;-.78,-10.51,;.01,-9.19,;-.03,-11.85,;.75,-10.51,;-5.94,-15.82,;-5.05,-17.09,;-3.57,-16.64,;-7.48,-15.79,;-8.22,-14.44,;-8.28,-17.1,;-9.02,-15.77,)|
Show InChI InChI=1S/C24H27ClF6N4/c1-14-10-15(2)20(16(3)11-14)35-19(25)13-34-18(21(24(29,30)31)32-22(34)35)12-33(8-6-17-4-5-17)9-7-23(26,27)28/h10-11,13,17H,4-9,12H2,1-3H3
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110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319881
PNG
(CHEMBL1086380 | N-benzyl-N-((2-chloro-1-mesityl-6-...)
Show SMILES CCCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccccc1 |(26.48,-31.19,;25.74,-29.84,;24.2,-29.81,;23.46,-28.46,;21.92,-28.43,;21.13,-29.75,;21.57,-31.23,;20.63,-32.46,;21.52,-33.73,;23,-33.29,;24.46,-33.79,;25.39,-32.56,;26.93,-32.59,;24.51,-31.29,;23.03,-31.74,;25.23,-35.13,;26.76,-35.13,;27.52,-33.79,;27.53,-36.46,;26.75,-37.8,;27.52,-39.13,;25.21,-37.79,;24.44,-36.45,;22.91,-36.45,;19.09,-32.43,;18.35,-31.08,;18.29,-33.75,;17.55,-32.42,;21.17,-27.09,;21.96,-25.76,;23.49,-25.78,;24.29,-24.46,;23.54,-23.12,;22,-23.09,;21.21,-24.43,)|
Show InChI InChI=1S/C27H30ClF3N4/c1-5-6-12-33(15-21-10-8-7-9-11-21)16-22-25(27(29,30)31)32-26-34(22)17-23(28)35(26)24-19(3)13-18(2)14-20(24)4/h7-11,13-14,17H,5-6,12,15-16H2,1-4H3
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130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319868
PNG
(CHEMBL1084184 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CN(CCc1ccccc1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(-6.58,-25.56,;-5.83,-26.9,;-4.29,-26.93,;-3.55,-28.28,;-2.01,-28.31,;-1.28,-29.66,;.26,-29.69,;1.06,-28.37,;.31,-27.02,;-1.23,-26.99,;-6.62,-28.22,;-6.18,-29.7,;-7.12,-30.93,;-6.24,-32.2,;-4.75,-31.75,;-3.29,-32.26,;-2.36,-31.03,;-.82,-31.05,;-3.24,-29.76,;-4.72,-30.21,;-2.52,-33.6,;-.99,-33.59,;-.23,-32.26,;-.23,-34.92,;-1,-36.26,;-.23,-37.6,;-2.54,-36.26,;-3.31,-34.92,;-4.85,-34.91,;-8.66,-30.9,;-9.4,-29.55,;-9.46,-32.21,;-10.2,-30.89,)|
Show InChI InChI=1S/C25H26ClF3N4/c1-16-12-17(2)22(18(3)13-16)33-21(26)15-32-20(23(25(27,28)29)30-24(32)33)14-31(4)11-10-19-8-6-5-7-9-19/h5-9,12-13,15H,10-11,14H2,1-4H3
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150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319877
PNG
(CHEMBL1083612 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES CCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccc(cc1)[N+]([O-])=O |(31.31,-43.98,;29.77,-43.95,;28.97,-45.27,;27.43,-45.24,;26.64,-46.56,;27.09,-48.04,;26.15,-49.27,;27.03,-50.54,;28.51,-50.09,;29.98,-50.6,;30.91,-49.37,;32.45,-49.39,;30.03,-48.1,;28.54,-48.55,;30.74,-51.94,;32.27,-51.93,;33.04,-50.6,;33.04,-53.26,;32.27,-54.6,;33.03,-55.94,;30.72,-54.6,;29.96,-53.26,;28.42,-53.25,;24.61,-49.24,;23.86,-47.89,;23.81,-50.55,;23.06,-49.23,;26.68,-43.89,;27.48,-42.57,;29.02,-42.54,;29.76,-41.19,;28.96,-39.87,;27.41,-39.91,;26.68,-41.26,;29.73,-38.54,;28.96,-37.2,;31.27,-38.54,)|
Show InChI InChI=1S/C26H27ClF3N5O2/c1-5-10-32(13-19-6-8-20(9-7-19)35(36)37)14-21-24(26(28,29)30)31-25-33(21)15-22(27)34(25)23-17(3)11-16(2)12-18(23)4/h6-9,11-12,15H,5,10,13-14H2,1-4H3
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150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319880
PNG
(CHEMBL1082339 | N-benzyl-1-(2-chloro-1-mesityl-6-(...)
Show SMILES CN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccccc1 |(37.01,-30.79,;35.47,-30.76,;34.69,-32.08,;35.13,-33.56,;34.19,-34.79,;35.07,-36.06,;36.55,-35.61,;38.02,-36.12,;38.95,-34.88,;40.49,-34.91,;38.07,-33.62,;36.59,-34.06,;38.78,-37.45,;40.31,-37.45,;41.08,-36.12,;41.08,-38.78,;40.31,-40.12,;41.08,-41.46,;38.77,-40.12,;38,-38.78,;36.46,-38.77,;32.65,-34.76,;31.91,-33.41,;31.85,-36.07,;31.1,-34.74,;34.73,-29.41,;35.52,-28.09,;37.05,-28.1,;37.84,-26.79,;37.09,-25.44,;35.55,-25.42,;34.76,-26.75,)|
Show InChI InChI=1S/C24H24ClF3N4/c1-15-10-16(2)21(17(3)11-15)32-20(25)14-31-19(22(24(26,27)28)29-23(31)32)13-30(4)12-18-8-6-5-7-9-18/h5-11,14H,12-13H2,1-4H3
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160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319883
PNG
(CHEMBL1083593 | N-((2-chloro-1-mesityl-6-(trifluor...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(Cc3ccc(F)cc3)CC(F)(F)F)c(nc12)C(F)(F)F |(.41,-38.07,;-.35,-36.74,;.42,-35.4,;-.35,-34.07,;.42,-32.73,;-1.88,-34.07,;-2.66,-35.4,;-4.2,-35.39,;-1.9,-36.73,;-2.64,-32.73,;-1.71,-31.5,;-.17,-31.53,;-2.59,-30.24,;-4.08,-30.68,;-5.53,-30.17,;-5.98,-28.7,;-5.19,-27.37,;-3.65,-27.4,;-2.86,-26.07,;-1.32,-26.09,;-.54,-24.76,;-1.3,-23.42,;-.52,-22.09,;-2.85,-23.42,;-3.62,-24.74,;-5.94,-26.03,;-7.47,-26,;-8.2,-27.36,;-8.29,-24.69,;-9.02,-26.08,;-6.47,-31.41,;-5.59,-32.68,;-4.11,-32.23,;-8.01,-31.37,;-8.76,-30.02,;-8.81,-32.69,;-9.56,-31.36,)|
Show InChI InChI=1S/C25H22ClF7N4/c1-14-8-15(2)21(16(3)9-14)37-20(26)12-36-19(22(25(31,32)33)34-23(36)37)11-35(13-24(28,29)30)10-17-4-6-18(27)7-5-17/h4-9,12H,10-11,13H2,1-3H3
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160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319879
PNG
(CHEMBL1083608 | N-benzyl-N-((2-chloro-1-mesityl-6-...)
Show SMILES CCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)Cc1ccccc1 |(-2.71,-41.91,;-4.25,-41.88,;-5.05,-43.2,;-6.59,-43.17,;-7.38,-44.49,;-6.93,-45.97,;-7.87,-47.2,;-6.99,-48.47,;-5.51,-48.02,;-4.04,-48.53,;-3.11,-47.3,;-1.57,-47.33,;-3.99,-46.03,;-5.48,-46.48,;-3.28,-49.87,;-1.75,-49.86,;-.98,-48.53,;-.98,-51.19,;-1.75,-52.53,;-.99,-53.87,;-3.3,-52.53,;-4.06,-51.19,;-5.6,-51.18,;-9.41,-47.17,;-10.16,-45.82,;-10.21,-48.49,;-10.96,-47.16,;-7.34,-41.82,;-6.54,-40.5,;-5.01,-40.52,;-4.22,-39.2,;-4.97,-37.86,;-6.51,-37.83,;-7.3,-39.17,)|
Show InChI InChI=1S/C26H28ClF3N4/c1-5-11-32(14-20-9-7-6-8-10-20)15-21-24(26(28,29)30)31-25-33(21)16-22(27)34(25)23-18(3)12-17(2)13-19(23)4/h6-10,12-13,16H,5,11,14-15H2,1-4H3
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170n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319871
PNG
(1-(2-chloro-1-mesityl-6-(trifluoromethyl)-1H-imida...)
Show SMILES CN(Cc1ccco1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(5.1,-11.19,;5.85,-12.53,;7.39,-12.56,;8.18,-11.23,;9.61,-11.78,;10.58,-10.58,;9.73,-9.29,;8.25,-9.7,;5.06,-13.86,;5.5,-15.33,;4.56,-16.57,;5.45,-17.84,;6.93,-17.39,;8.39,-17.89,;9.32,-16.66,;10.86,-16.69,;8.44,-15.4,;6.96,-15.84,;9.16,-19.23,;10.69,-19.23,;11.46,-17.89,;11.46,-20.56,;10.68,-21.9,;11.45,-23.23,;9.14,-21.89,;8.38,-20.56,;6.84,-20.55,;3.02,-16.53,;2.28,-15.18,;2.22,-17.85,;1.48,-16.52,)|
Show InChI InChI=1S/C22H22ClF3N4O/c1-13-8-14(2)19(15(3)9-13)30-18(23)12-29-17(20(22(24,25)26)27-21(29)30)11-28(4)10-16-6-5-7-31-16/h5-9,12H,10-11H2,1-4H3
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180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50319861
PNG
(5-((2-benzylpyrrolidin-1-yl)methyl)-2-chloro-1-mes...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN3CCCC3Cc3ccccc3)c(nc12)C(F)(F)F |(14.9,-11.77,;14.13,-10.43,;14.9,-9.09,;14.13,-7.76,;14.9,-6.43,;12.6,-7.77,;11.82,-9.09,;10.28,-9.08,;12.59,-10.43,;11.84,-6.43,;12.77,-5.2,;14.31,-5.22,;11.89,-3.93,;10.41,-4.38,;8.95,-3.87,;8.51,-2.39,;9.56,-1.27,;11.1,-1.23,;11.53,.25,;10.25,1.12,;9.03,.17,;7.71,.95,;7.72,2.49,;9.06,3.25,;9.07,4.79,;7.74,5.57,;6.4,4.8,;6.39,3.26,;8.01,-5.1,;8.89,-6.37,;10.37,-5.92,;6.47,-5.07,;5.73,-3.72,;5.67,-6.38,;4.92,-5.06,)|
Show InChI InChI=1S/C27H28ClF3N4/c1-17-12-18(2)24(19(3)13-17)35-23(28)16-34-22(25(27(29,30)31)32-26(34)35)15-33-11-7-10-21(33)14-20-8-5-4-6-9-20/h4-6,8-9,12-13,16,21H,7,10-11,14-15H2,1-3H3
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190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins


Bioorg Med Chem Lett 20: 3669-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.094
BindingDB Entry DOI: 10.7270/Q2VX0GPF
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50314018
PNG
(8-mesityl-3-(piperidin-1-ylmethyl)-2-(trifluoromet...)
Show SMILES Cc1cc(C)c(N2CCCn3c(CN4CCCCC4)c(nc23)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C22H29F3N4/c1-15-12-16(2)19(17(3)13-15)29-11-7-10-28-18(14-27-8-5-4-6-9-27)20(22(23,24)25)26-21(28)29/h12-13H,4-11,14H2,1-3H3
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245n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells


Bioorg Med Chem Lett 20: 1905-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.127
BindingDB Entry DOI: 10.7270/Q24Q7V3F
More data for this
Ligand-Target Pair
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