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Compile Data Set for Download or QSAR

Found 228 hits with Last Name = 'zuev' and Initial = 'd'   
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))
BDBM50152162
PNG
(CHEMBL188844 | CHEMBL2165204 | [3-(6-Dimethylamino...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(nc1)N(C)C
Show InChI InChI=1S/C21H30N6/c1-7-11-26(12-8-2)19-13-15(3)23-21-20(16(4)24-27(19)21)17-9-10-18(22-14-17)25(5)6/h9-10,13-14H,7-8,11-12H2,1-6H3
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to CRFR1 by autoradiography


Bioorg Med Chem Lett 22: 6651-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.112
BindingDB Entry DOI: 10.7270/Q20C4WWB
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM86192
PNG
(CAS_197801-88-0 | CHEMBL2165203 | SN003)
Show SMILES CCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)cc12
Show InChI InChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21)
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to CRFR1 by autoradiography


Bioorg Med Chem Lett 22: 6651-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.112
BindingDB Entry DOI: 10.7270/Q20C4WWB
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50395823
PNG
(CHEMBL2165205)
Show SMILES COCCN(CCOC)Cc1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(25.82,-9.73,;27.14,-10.52,;27.12,-12.06,;25.77,-12.81,;25.76,-14.34,;27.09,-15.12,;28.43,-14.35,;29.76,-15.12,;31.1,-14.36,;24.43,-15.12,;24.44,-16.66,;23.11,-17.43,;23.11,-18.97,;21.78,-19.74,;24.44,-19.74,;25.78,-18.97,;27.25,-19.46,;28.17,-18.2,;29.7,-18.19,;27.25,-16.94,;25.78,-17.42,;27.99,-20.8,;27.19,-22.11,;27.92,-23.47,;29.46,-23.5,;30.21,-24.85,;30.26,-22.17,;29.52,-20.83,;30.32,-19.51,)|
Show InChI InChI=1S/C21H26Cl2N4O2/c1-14-11-17(13-26(7-9-28-3)8-10-29-4)27-21(24-14)20(15(2)25-27)18-6-5-16(22)12-19(18)23/h5-6,11-12H,7-10,13H2,1-4H3
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to CRFR1 by autoradiography


Bioorg Med Chem Lett 22: 6651-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.112
BindingDB Entry DOI: 10.7270/Q20C4WWB
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50395822
PNG
(CHEMBL1762817)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl |(-.62,5.04,;-1.96,5.81,;-3.29,5.03,;-4.63,5.8,;-5.96,5.03,;-7.29,5.79,;-8.63,5.02,;-9.96,5.78,;-11.29,5.01,;-5.95,3.49,;-7.28,2.71,;-7.28,1.17,;-8.62,.4,;-5.95,.4,;-4.62,1.17,;-3.14,.69,;-2.23,1.95,;-.69,1.95,;-3.14,3.2,;-4.62,2.72,;-2.34,-.61,;-3.16,-1.92,;-2.44,-3.28,;-.9,-3.34,;-.17,-4.69,;-.08,-2.02,;-.8,-.67,;.01,.64,)|
Show InChI InChI=1S/C19H23BrClN5O2/c1-12-17(15-6-5-14(20)11-16(15)21)18-22-13(2)23-19(26(18)24-12)25(7-9-27-3)8-10-28-4/h5-6,11H,7-10H2,1-4H3
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to CRFR1 by autoradiography


Bioorg Med Chem Lett 22: 6651-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.112
BindingDB Entry DOI: 10.7270/Q20C4WWB
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50395822
PNG
(CHEMBL1762817)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl |(-.62,5.04,;-1.96,5.81,;-3.29,5.03,;-4.63,5.8,;-5.96,5.03,;-7.29,5.79,;-8.63,5.02,;-9.96,5.78,;-11.29,5.01,;-5.95,3.49,;-7.28,2.71,;-7.28,1.17,;-8.62,.4,;-5.95,.4,;-4.62,1.17,;-3.14,.69,;-2.23,1.95,;-.69,1.95,;-3.14,3.2,;-4.62,2.72,;-2.34,-.61,;-3.16,-1.92,;-2.44,-3.28,;-.9,-3.34,;-.17,-4.69,;-.08,-2.02,;-.8,-.67,;.01,.64,)|
Show InChI InChI=1S/C19H23BrClN5O2/c1-12-17(15-6-5-14(20)11-16(15)21)18-22-13(2)23-19(26(18)24-12)25(7-9-27-3)8-10-28-4/h5-6,11H,7-10H2,1-4H3
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to CRF1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 2052-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.009
BindingDB Entry DOI: 10.7270/Q2DR2WW3
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50158117
PNG
((5-{[(4-Chloro-benzyl)-(3,3,3-trifluoro-propyl)-am...)
Show SMILES FC(F)(F)CCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl4F6N3S/c22-12-3-1-11(2-4-12)9-34(6-5-20(26,27)28)10-16-18(21(29,30)31)33-19(35-16)32-17-14(24)7-13(23)8-15(17)25/h1-4,7-8H,5-6,9-10H2,(H,32,33)
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3.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibtion of [125I]-Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 15: 431-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.055
BindingDB Entry DOI: 10.7270/Q2M61JR4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50158108
PNG
((5-{[(3-Fluoro-benzyl)-(3,3,3-trifluoro-propyl)-am...)
Show SMILES Fc1cccc(CN(CCC(F)(F)F)Cc2sc(Nc3c(Cl)cc(Cl)cc3Cl)nc2C(F)(F)F)c1
Show InChI InChI=1S/C21H15Cl3F7N3S/c22-12-7-14(23)17(15(24)8-12)32-19-33-18(21(29,30)31)16(35-19)10-34(5-4-20(26,27)28)9-11-2-1-3-13(25)6-11/h1-3,6-8H,4-5,9-10H2,(H,32,33)
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3.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibtion of [125I]-Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 15: 431-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.055
BindingDB Entry DOI: 10.7270/Q2M61JR4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)|
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
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3.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
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))
BDBM50158134
PNG
((5-{[(4-Fluoro-benzyl)-(3,3,3-trifluoro-propyl)-am...)
Show SMILES Fc1ccc(CN(CCC(F)(F)F)Cc2sc(Nc3c(Cl)cc(Cl)cc3Cl)nc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H15Cl3F7N3S/c22-12-7-14(23)17(15(24)8-12)32-19-33-18(21(29,30)31)16(35-19)10-34(6-5-20(26,27)28)9-11-1-3-13(25)4-2-11/h1-4,7-8H,5-6,9-10H2,(H,32,33)
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4.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibtion of [125I]-Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 15: 431-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.055
BindingDB Entry DOI: 10.7270/Q2M61JR4
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))
BDBM50158123
PNG
((5-{[Benzyl-(3,3,3-trifluoro-propyl)-amino]-methyl...)
Show SMILES FC(F)(F)CCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1
Show InChI InChI=1S/C21H16Cl3F6N3S/c22-13-8-14(23)17(15(24)9-13)31-19-32-18(21(28,29)30)16(34-19)11-33(7-6-20(25,26)27)10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2,(H,31,32)
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6.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibtion of [125I]-Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 15: 431-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.055
BindingDB Entry DOI: 10.7270/Q2M61JR4
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))
BDBM50135349
PNG
(CHEMBL341313 | {5-[(Cyclopropylmethyl-propyl-amino...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(Br)cc(Br)cc2Br)nc1C(F)(F)F
Show InChI InChI=1S/C18H19Br3F3N3S/c1-2-5-27(8-10-3-4-10)9-14-16(18(22,23)24)26-17(28-14)25-15-12(20)6-11(19)7-13(15)21/h6-7,10H,2-5,8-9H2,1H3,(H,25,26)
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7.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
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))
BDBM50135329
PNG
(CHEMBL128100 | {5-[(Cyclopropylmethyl-propyl-amino...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
Show InChI InChI=1S/C18H19Cl3F3N3S/c1-2-5-27(8-10-3-4-10)9-14-16(18(22,23)24)26-17(28-14)25-15-12(20)6-11(19)7-13(15)21/h6-7,10H,2-5,8-9H2,1H3,(H,25,26)
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8.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135329
PNG
(CHEMBL128100 | {5-[(Cyclopropylmethyl-propyl-amino...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
Show InChI InChI=1S/C18H19Cl3F3N3S/c1-2-5-27(8-10-3-4-10)9-14-16(18(22,23)24)26-17(28-14)25-15-12(20)6-11(19)7-13(15)21/h6-7,10H,2-5,8-9H2,1H3,(H,25,26)
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8.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibtion of [125I]-Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 15: 431-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.055
BindingDB Entry DOI: 10.7270/Q2M61JR4
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))
BDBM50158137
PNG
((5-{[(4-Chloro-benzyl)-propyl-amino]-methyl}-4-tri...)
Show SMILES CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C21H18Cl4F3N3S/c1-2-7-31(10-12-3-5-13(22)6-4-12)11-17-19(21(26,27)28)30-20(32-17)29-18-15(24)8-14(23)9-16(18)25/h3-6,8-9H,2,7,10-11H2,1H3,(H,29,30)
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibtion of [125I]-Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 15: 431-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.055
BindingDB Entry DOI: 10.7270/Q2M61JR4
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))
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))
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))
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))
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))
BDBM50135339
PNG
(CHEMBL128709 | {5-[(Cyclopropylmethyl-propyl-amino...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(Cl)cc2Cl)nc1C(F)(F)F
Show InChI InChI=1S/C19H22Cl2F3N3S/c1-3-6-27(9-12-4-5-12)10-15-17(19(22,23)24)26-18(28-15)25-16-11(2)7-13(20)8-14(16)21/h7-8,12H,3-6,9-10H2,1-2H3,(H,25,26)
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
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))
BDBM50054245
PNG
(5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl
Show InChI InChI=1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
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))
BDBM50135340
PNG
((2-Bromo-4,6-dimethyl-phenyl)-{5-[(cyclopropylmeth...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(C)cc2Br)nc1C(F)(F)F
Show InChI InChI=1S/C20H25BrF3N3S/c1-4-7-27(10-14-5-6-14)11-16-18(20(22,23)24)26-19(28-16)25-17-13(3)8-12(2)9-15(17)21/h8-9,14H,4-7,10-11H2,1-3H3,(H,25,26)
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50158114
PNG
(CHEMBL181718 | {5-[(Cyclopropylmethyl-ethyl-amino)...)
Show SMILES CCN(CC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
Show InChI InChI=1S/C17H17Cl3F3N3S/c1-2-26(7-9-3-4-9)8-13-15(17(21,22)23)25-16(27-13)24-14-11(19)5-10(18)6-12(14)20/h5-6,9H,2-4,7-8H2,1H3,(H,24,25)
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23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibtion of [125I]-Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 15: 431-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.055
BindingDB Entry DOI: 10.7270/Q2M61JR4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135345
PNG
((2-Chloro-4,6-dimethyl-phenyl)-{5-[(cyclopropylmet...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F
Show InChI InChI=1S/C20H25ClF3N3S/c1-4-7-27(10-14-5-6-14)11-16-18(20(22,23)24)26-19(28-16)25-17-13(3)8-12(2)9-15(17)21/h8-9,14H,4-7,10-11H2,1-3H3,(H,25,26)
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23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50158143
PNG
((5-{[(4-Fluoro-benzyl)-propyl-amino]-methyl}-4-tri...)
Show SMILES CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(F)cc1
Show InChI InChI=1S/C21H18Cl3F4N3S/c1-2-7-31(10-12-3-5-14(25)6-4-12)11-17-19(21(26,27)28)30-20(32-17)29-18-15(23)8-13(22)9-16(18)24/h3-6,8-9H,2,7,10-11H2,1H3,(H,29,30)
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25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibtion of [125I]-Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 15: 431-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.055
BindingDB Entry DOI: 10.7270/Q2M61JR4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50158141
PNG
(CHEMBL181980 | {5-[(Bis-cyclopropylmethyl-amino)-m...)
Show SMILES FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN(CC1CC1)CC1CC1
Show InChI InChI=1S/C19H19Cl3F3N3S/c20-12-5-13(21)16(14(22)6-12)26-18-27-17(19(23,24)25)15(29-18)9-28(7-10-1-2-10)8-11-3-4-11/h5-6,10-11H,1-4,7-9H2,(H,26,27)
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26n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibtion of [125I]-Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 15: 431-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.055
BindingDB Entry DOI: 10.7270/Q2M61JR4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50158120
PNG
(CHEMBL181884 | {5-[(Phenethyl-propyl-amino)-methyl...)
Show SMILES CCCN(CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
Show InChI InChI=1S/C22H21Cl3F3N3S/c1-2-9-31(10-8-14-6-4-3-5-7-14)13-18-20(22(26,27)28)30-21(32-18)29-19-16(24)11-15(23)12-17(19)25/h3-7,11-12H,2,8-10,13H2,1H3,(H,29,30)
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibtion of [125I]-Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 15: 431-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.055
BindingDB Entry DOI: 10.7270/Q2M61JR4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135337
PNG
(CHEMBL131533 | {5-[(Cyclopropylmethyl-propyl-amino...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(Br)cc(C)cc2Br)nc1C(F)(F)F
Show InChI InChI=1S/C19H22Br2F3N3S/c1-3-6-27(9-12-4-5-12)10-15-17(19(22,23)24)26-18(28-15)25-16-13(20)7-11(2)8-14(16)21/h7-8,12H,3-6,9-10H2,1-2H3,(H,25,26)
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50135328
PNG
(CHEMBL131046 | {5-[(Cyclopropylmethyl-propyl-amino...)
Show SMILES CCCN(CC1CC1)Cc1sc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)nc1C(F)(F)F
Show InChI InChI=1S/C19H19Cl2F6N3S/c1-2-5-30(8-10-3-4-10)9-14-16(19(25,26)27)29-17(31-14)28-15-12(20)6-11(7-13(15)21)18(22,23)24/h6-7,10H,2-5,8-9H2,1H3,(H,28,29)
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [125I]-Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cel...


Bioorg Med Chem Lett 13: 3997-4000 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2GJW
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))
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))
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))
BDBM50158144
PNG
((5-{[(4-Methoxy-benzyl)-propyl-amino]-methyl}-4-tr...)
Show SMILES CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(OC)cc1
Show InChI InChI=1S/C22H21Cl3F3N3OS/c1-3-8-31(11-13-4-6-15(32-2)7-5-13)12-18-20(22(26,27)28)30-21(33-18)29-19-16(24)9-14(23)10-17(19)25/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,29,30)
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37n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibtion of [125I]-Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 15: 431-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.055
BindingDB Entry DOI: 10.7270/Q2M61JR4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50158122
PNG
(CHEMBL182133 | {5-[(Benzyl-propyl-amino)-methyl]-4...)
Show SMILES CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1
Show InChI InChI=1S/C21H19Cl3F3N3S/c1-2-8-30(11-13-6-4-3-5-7-13)12-17-19(21(25,26)27)29-20(31-17)28-18-15(23)9-14(22)10-16(18)24/h3-7,9-10H,2,8,11-12H2,1H3,(H,28,29)
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38n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibtion of [125I]-Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 15: 431-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.055
BindingDB Entry DOI: 10.7270/Q2M61JR4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50158142
PNG
((5-{[(2-Fluoro-benzyl)-propyl-amino]-methyl}-4-tri...)
Show SMILES CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1F
Show InChI InChI=1S/C21H18Cl3F4N3S/c1-2-7-31(10-12-5-3-4-6-16(12)25)11-17-19(21(26,27)28)30-20(32-17)29-18-14(23)8-13(22)9-15(18)24/h3-6,8-9H,2,7,10-11H2,1H3,(H,29,30)
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42n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibtion of [125I]-Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 15: 431-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.055
BindingDB Entry DOI: 10.7270/Q2M61JR4
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
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