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Compile Data Set for Download or QSAR

Found 287 hits with Last Name = 'fung' and Initial = 'l'   
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))
BDBM50272695
PNG
(3-(4-chloro-2-morpholinothiazol-5-yl)-2,6-dimethyl...)
Show SMILES CCC(CC)c1cc(C)nn2c(c(C)nc12)-c1sc(nc1Cl)N1CCOCC1 |(8.98,-11.26,;8.98,-12.8,;7.65,-13.58,;6.32,-12.81,;4.99,-13.59,;7.66,-15.12,;6.34,-15.89,;6.33,-17.43,;5,-18.2,;7.67,-18.2,;9.01,-17.43,;10.49,-17.9,;11.4,-16.64,;12.94,-16.63,;10.48,-15.39,;9,-15.88,;10.98,-19.36,;12.45,-19.83,;12.46,-21.37,;11,-21.85,;10.09,-20.61,;8.55,-20.62,;13.71,-22.26,;13.55,-23.79,;14.79,-24.69,;16.2,-24.06,;16.36,-22.53,;15.11,-21.62,)|
Show InChI InChI=1S/C20H26ClN5OS/c1-5-14(6-2)15-11-12(3)24-26-16(13(4)22-19(15)26)17-18(21)23-20(28-17)25-7-9-27-10-8-25/h11,14H,5-10H2,1-4H3
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0.200n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


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



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348782
PNG
(CHEMBL1807053)
Show SMILES CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(OC(F)(F)F)cc1OC
Show InChI InChI=1S/C19H24F3N3O3/c1-6-12(7-2)24-17-18(27-5)25-16(11(3)23-17)14-9-8-13(10-15(14)26-4)28-19(20,21)22/h8-10,12H,6-7H2,1-5H3,(H,23,24)
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1n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348778
PNG
(CHEMBL1807058)
Show SMILES CCC(CC)Nc1nc(OC)c(nc1CC)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C19H26ClN3O2/c1-6-12(7-2)21-18-16(8-3)22-17(19(23-18)25-5)14-10-9-13(24-4)11-15(14)20/h9-12H,6-8H2,1-5H3,(H,21,23)
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1.10n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348829
PNG
(CHEMBL1807054)
Show SMILES CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(cc1OC)C(F)(F)F
Show InChI InChI=1S/C19H24F3N3O2/c1-6-13(7-2)24-17-18(27-5)25-16(11(3)23-17)14-9-8-12(19(20,21)22)10-15(14)26-4/h8-10,13H,6-7H2,1-5H3,(H,23,24)
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1.30n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348783
PNG
(CHEMBL1807052)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(OC(F)F)cc1Cl
Show InChI InChI=1S/C19H24ClF2N3O2/c1-5-11(6-2)23-17-18(26-4)25-16(15(7-3)24-17)13-9-8-12(10-14(13)20)27-19(21)22/h8-11,19H,5-7H2,1-4H3,(H,23,24)
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1.40n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348786
PNG
(CHEMBL1807049)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(OC)cc1CC
Show InChI InChI=1S/C21H31N3O2/c1-7-14-13-16(25-5)11-12-17(14)19-18(10-4)23-20(21(24-19)26-6)22-15(8-2)9-3/h11-13,15H,7-10H2,1-6H3,(H,22,23)
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1.90n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
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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2n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
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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2n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348828
PNG
(CHEMBL1628268 | SR-125543A)
Show SMILES COc1cc(Cl)c(cc1C)-c1nc(sc1C)N(CC#C)[C@@H](CC1CC1)c1ccc(C)c(F)c1 |r|
Show InChI InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1
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2n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084875
PNG
(8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl...)
Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(-3.04,-6.69,;-3.03,-8.23,;-4.37,-9,;-4.37,-10.54,;-3.03,-11.31,;-1.7,-10.54,;-1.7,-9.01,;-5.7,-11.31,;-5.7,-12.85,;-7.03,-13.63,;-7.03,-15.17,;-8.36,-15.94,;-5.7,-15.93,;-4.37,-15.17,;-2.91,-15.64,;-2,-14.4,;-.46,-14.4,;-2.91,-13.15,;-4.37,-13.63,;-2.18,-17.01,;-3.01,-18.3,;-2.29,-19.67,;-.75,-19.73,;-.03,-21.08,;.06,-18.41,;-.65,-17.05,;.16,-15.75,)|
Show InChI InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)
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2n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348784
PNG
(CHEMBL1807051)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(OC)cc1C(F)(F)F
Show InChI InChI=1S/C20H26F3N3O2/c1-6-12(7-2)24-18-19(28-5)26-17(16(8-3)25-18)14-10-9-13(27-4)11-15(14)20(21,22)23/h9-12H,6-8H2,1-5H3,(H,24,25)
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2.20n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348777
PNG
(CHEMBL1807059)
Show SMILES CCC(CC)Nc1nc(OC)c(nc1CC)-c1ccc(OC(F)F)cc1Cl
Show InChI InChI=1S/C19H24ClF2N3O2/c1-5-11(6-2)23-17-15(7-3)24-16(18(25-17)26-4)13-9-8-12(10-14(13)20)27-19(21)22/h8-11,19H,5-7H2,1-4H3,(H,23,25)
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2.5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
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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2.70n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50116105
PNG
(3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)|
Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3
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3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
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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3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
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))
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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells


Bioorg Med Chem Lett 15: 3870-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.117
BindingDB Entry DOI: 10.7270/Q269733T
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348810
PNG
(CHEMBL1807021)
Show SMILES CCc1nc(c(CC)nc1NC(C1CC1)C1CC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H25Cl2N3/c1-3-17-20(15-10-9-14(22)11-16(15)23)24-18(4-2)21(25-17)26-19(12-5-6-12)13-7-8-13/h9-13,19H,3-8H2,1-2H3,(H,25,26)
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3.70n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50116105
PNG
(3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)|
Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3
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3.80n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from rat CRF-1 receptor expressed in rat cortical membrane after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50171325
PNG
(2-(2,4-Dichloro-phenyl)-4-methyl-6-(1-propyl-butyl...)
Show SMILES CCCC(CCC)N1CCn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23
Show InChI InChI=1S/C22H26Cl2N4/c1-4-6-16(7-5-2)27-10-11-28-22-19(27)12-14(3)25-21(22)20(26-28)17-9-8-15(23)13-18(17)24/h8-9,12-13,16H,4-7,10-11H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348823
PNG
(CHEMBL1806728)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H25Cl2N3/c1-5-13(6-2)22-19-17(8-4)23-18(16(7-3)24-19)14-10-9-12(20)11-15(14)21/h9-11,13H,5-8H2,1-4H3,(H,22,24)
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4.10n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348815
PNG
(CHEMBL1806736)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC)cc1OC(F)(F)F
Show InChI InChI=1S/C21H28F3N3O2/c1-6-13(7-2)25-20-17(9-4)26-19(16(8-3)27-20)15-11-10-14(28-5)12-18(15)29-21(22,23)24/h10-13H,6-9H2,1-5H3,(H,25,27)
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4.10n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348819
PNG
(CHEMBL1806732)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC(C)C)cc1OC
Show InChI InChI=1S/C23H35N3O2/c1-8-16(9-2)24-23-20(11-4)25-22(19(10-3)26-23)18-13-12-17(28-15(5)6)14-21(18)27-7/h12-16H,8-11H2,1-7H3,(H,24,26)
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4.20n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348790
PNG
(CHEMBL1807041)
Show SMILES CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H21Cl2N3O/c1-5-12(6-2)21-16-17(23-4)22-15(10(3)20-16)13-8-7-11(18)9-14(13)19/h7-9,12H,5-6H2,1-4H3,(H,20,21)
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4.30n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348814
PNG
(CHEMBL1806956)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC)cc1C(F)(F)F
Show InChI InChI=1S/C21H28F3N3O/c1-6-13(7-2)25-20-18(9-4)26-19(17(8-3)27-20)15-11-10-14(28-5)12-16(15)21(22,23)24/h10-13H,6-9H2,1-5H3,(H,25,27)
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4.40n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348785
PNG
(CHEMBL1807050)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(cc1OC)C(F)(F)F
Show InChI InChI=1S/C20H26F3N3O2/c1-6-13(7-2)24-18-19(28-5)26-17(15(8-3)25-18)14-10-9-12(20(21,22)23)11-16(14)27-4/h9-11,13H,6-8H2,1-5H3,(H,24,25)
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4.40n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348781
PNG
(CHEMBL1807055)
Show SMILES CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(OC(F)F)cc1Cl
Show InChI InChI=1S/C18H22ClF2N3O2/c1-5-11(6-2)23-16-17(25-4)24-15(10(3)22-16)13-8-7-12(9-14(13)19)26-18(20)21/h7-9,11,18H,5-6H2,1-4H3,(H,22,23)
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4.60n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348817
PNG
(CHEMBL1806734)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(cc1OC)C(F)(F)F
Show InChI InChI=1S/C21H28F3N3O/c1-6-14(7-2)25-20-17(9-4)26-19(16(8-3)27-20)15-11-10-13(21(22,23)24)12-18(15)28-5/h10-12,14H,6-9H2,1-5H3,(H,25,27)
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5.60n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348780
PNG
(CHEMBL1807056)
Show SMILES CCOc1ccc(c(Cl)c1)-c1nc(OC)c(NC(CC)CC)nc1C
Show InChI InChI=1S/C19H26ClN3O2/c1-6-13(7-2)22-18-19(24-5)23-17(12(4)21-18)15-10-9-14(25-8-3)11-16(15)20/h9-11,13H,6-8H2,1-5H3,(H,21,22)
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5.90n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348796
PNG
(CHEMBL1807035)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H23Cl2N3O/c1-5-12(6-2)21-17-18(24-4)23-16(15(7-3)22-17)13-9-8-11(19)10-14(13)20/h8-10,12H,5-7H2,1-4H3,(H,21,22)
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5.90n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348779
PNG
(CHEMBL1807057)
Show SMILES CCC(CC)Nc1nc(OC)c(nc1CC)-c1ccc(OC(F)(F)F)cc1OC
Show InChI InChI=1S/C20H26F3N3O3/c1-6-12(7-2)24-18-15(8-3)25-17(19(26-18)28-5)14-10-9-13(11-16(14)27-4)29-20(21,22)23/h9-12H,6-8H2,1-5H3,(H,24,26)
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6.10n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


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


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


(Homo sapiens (Human))
BDBM50348821
PNG
(CHEMBL1806730)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC(F)(F)F)cc1OC
Show InChI InChI=1S/C21H28F3N3O2/c1-6-13(7-2)25-20-17(9-4)26-19(16(8-3)27-20)15-11-10-14(12-18(15)28-5)29-21(22,23)24/h10-13H,6-9H2,1-5H3,(H,25,27)
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7.20n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348822
PNG
(CHEMBL1806729)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C21H31N3O2/c1-7-14(8-2)22-21-18(10-4)23-20(17(9-3)24-21)16-12-11-15(25-5)13-19(16)26-6/h11-14H,7-10H2,1-6H3,(H,22,24)
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7.30n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348813
PNG
(CHEMBL1806957)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1CC)-c1cnc(C)cc1N(C)C
Show InChI InChI=1S/C21H33N5/c1-8-15(9-2)23-21-18(11-4)24-20(17(10-3)25-21)16-13-22-14(5)12-19(16)26(6)7/h12-13,15H,8-11H2,1-7H3,(H,23,25)
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7.60n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
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))
BDBM50348820
PNG
(CHEMBL1806731)
Show SMILES CCOc1ccc(c(OC)c1)-c1nc(CC)c(NC(CC)CC)nc1CC
Show InChI InChI=1S/C22H33N3O2/c1-7-15(8-2)23-22-19(10-4)24-21(18(9-3)25-22)17-13-12-16(27-11-5)14-20(17)26-6/h12-15H,7-11H2,1-6H3,(H,23,25)
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7.80n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348787
PNG
(CHEMBL1807048)
Show SMILES CCC(CC)Nc1nc(OC)c(nc1CC)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H23Cl2N3O/c1-5-12(6-2)21-17-15(7-3)22-16(18(23-17)24-4)13-9-8-11(19)10-14(13)20/h8-10,12H,5-7H2,1-4H3,(H,21,23)
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8n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
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))
BDBM50348789
PNG
(CHEMBL1807042)
Show SMILES CCC(CC)Nc1nc(OC)c(nc1OC)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H21Cl2N3O2/c1-5-11(6-2)20-15-17(24-4)21-14(16(22-15)23-3)12-8-7-10(18)9-13(12)19/h7-9,11H,5-6H2,1-4H3,(H,20,22)
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8.40n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
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))
BDBM50348792
PNG
(CHEMBL1807039)
Show SMILES CCC(CC)Nc1nc(C)c(nc1CC)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H23Cl2N3/c1-5-13(6-2)22-18-16(7-3)23-17(11(4)21-18)14-9-8-12(19)10-15(14)20/h8-10,13H,5-7H2,1-4H3,(H,21,22)
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8.60n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50272704
PNG
(2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methy...)
Show SMILES CCC(CC)Oc1c(C)nc(nc1OC)-c1c(OC)cc(Cl)cc1OC
Show InChI InChI=1S/C19H25ClN2O4/c1-7-13(8-2)26-17-11(3)21-18(22-19(17)25-6)16-14(23-4)9-12(20)10-15(16)24-5/h9-10,13H,7-8H2,1-6H3
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9n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50348782
PNG
(CHEMBL1807053)
Show SMILES CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(OC(F)(F)F)cc1OC
Show InChI InChI=1S/C19H24F3N3O3/c1-6-12(7-2)24-17-18(27-5)25-16(11(3)23-17)14-9-8-13(10-15(14)26-4)28-19(20,21)22/h8-10,12H,6-7H2,1-5H3,(H,23,24)
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9.80n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from rat CRF-1 receptor expressed in rat cortical membrane after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50222985
PNG
(3,6-diethyl-N-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihy...)
Show SMILES CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCF
Show InChI InChI=1S/C25H29FN4O2/c1-4-19-24(28-20(5-2)25(29-19)32-22-14-16(3)10-12-27-22)30-23-18-9-7-6-8-17(18)15-21(23)31-13-11-26/h6-10,12,14,21,23H,4-5,11,13,15H2,1-3H3,(H,28,30)/t21-,23+/m0/s1
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11n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


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


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


(Homo sapiens (Human))
BDBM50348812
PNG
(CHEMBL1806958)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1CC)-c1ccc(OC)nc1OC
Show InChI InChI=1S/C20H30N4O2/c1-7-13(8-2)21-19-16(10-4)22-18(15(9-3)23-19)14-11-12-17(25-5)24-20(14)26-6/h11-13H,7-10H2,1-6H3,(H,21,23)
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11.6n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348797
PNG
(CHEMBL1807034)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1I)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H20Cl2IN3/c1-4-11(5-2)21-17-16(20)23-15(14(6-3)22-17)12-8-7-10(18)9-13(12)19/h7-9,11H,4-6H2,1-3H3,(H,21,22)
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12n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


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



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


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


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