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PubMed code 10230641

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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))		BDBM50076782
PNG
(CHEMBL10154 | N-Cyclopropylmethyl-N-ethyl-2,5-dime...)
Show SMILES CCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C
Show InChI InChI=1S/C18H21Cl3N4/c1-4-25(9-12-5-6-12)18-10(2)17(22-11(3)23-18)24-16-14(20)7-13(19)8-15(16)21/h7-8,12H,4-6,9H2,1-3H3,(H,22,23,24)
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 2n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
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



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50074458
PNG
(CHEMBL9633 | [3-(2-Bromo-4,6-dimethoxy-phenyl)-5-m...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(nnc12)-c1c(Br)cc(OC)cc1OC |(13.26,-.73,;11.93,.04,;10.59,-.73,;9.26,.02,;7.91,-.75,;6.58,.02,;5.24,-.76,;7.92,-2.29,;6.59,-3.06,;6.59,-4.61,;5.24,-5.38,;7.92,-5.38,;9.26,-4.6,;10.73,-5.08,;11.64,-3.83,;10.73,-2.58,;9.26,-3.06,;11.2,-6.55,;12.7,-6.86,;13.73,-5.71,;13.19,-8.31,;12.16,-9.47,;12.63,-10.95,;11.6,-12.09,;10.64,-9.15,;10.17,-7.69,;8.66,-7.37,;7.63,-8.52,)|
Show InChI InChI=1S/C19H25BrN6O2/c1-6-8-9-25(7-2)18-16-19(22-12(3)21-18)26(24-23-16)17-14(20)10-13(27-4)11-15(17)28-5/h10-11H,6-9H2,1-5H3
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 3.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50074456
PNG
(CHEMBL10504 | SC241 | [3-(2-Bromo-4-isopropyl-phen...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H27BrN6O2/c1-13(2)15-6-7-17(16(21)12-15)27-20-18(24-25-27)19(22-14(3)23-20)26(8-10-28-4)9-11-29-5/h6-7,12-13H,8-11H2,1-5H3
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 3.70n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50076779
PNG
((2-Bromo-4-isopropyl-phenyl)-ethyl-[4-methyl-6-(2-...)
Show SMILES CCN(c1nc(C)nc(n1)-c1ccccc1C(F)(F)F)c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C22H22BrF3N4/c1-5-30(19-11-10-15(13(2)3)12-18(19)23)21-28-14(4)27-20(29-21)16-8-6-7-9-17(16)22(24,25)26/h6-13H,5H2,1-4H3
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 5.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50076785
PNG
(2,5,6-Trimethyl-4-(2-trifluoromethyl-phenyl)-7-(2,...)
Show SMILES Cc1c(C)c2c(nc(C)nc2n1-c1c(C)cc(C)cc1C)-c1ccccc1C(F)(F)F |(10.94,-6.24,;9.41,-6.24,;8.5,-5,;8.98,-3.54,;7.03,-5.47,;5.71,-4.71,;4.36,-5.47,;4.36,-7.01,;3.03,-7.78,;5.68,-7.8,;7.03,-7.01,;8.5,-7.49,;8.99,-8.96,;7.94,-10.1,;6.44,-9.79,;8.42,-11.57,;9.93,-11.89,;10.41,-13.36,;10.96,-10.73,;10.49,-9.27,;11.51,-8.13,;5.68,-3.16,;7.03,-2.38,;7.03,-.82,;5.68,-.05,;4.36,-.84,;4.36,-2.38,;3.03,-3.15,;1.82,-3.85,;1.54,-2.58,;2.78,-4.73,)|
Show InChI InChI=1S/C25H24F3N3/c1-13-11-14(2)23(15(3)12-13)31-17(5)16(4)21-22(29-18(6)30-24(21)31)19-9-7-8-10-20(19)25(26,27)28/h7-12H,1-6H3
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 9.70n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50076786
PNG
(3-(2-Bromo-4,6-dimethoxy-phenyl)-5-methyl-7-(2-tri...)
Show SMILES COc1cc(Br)c(c(OC)c1)-n1nnc2c(nc(C)nc12)-c1ccccc1C(F)(F)F |(10.57,-12.06,;11.62,-10.92,;11.18,-9.45,;9.66,-9.12,;9.22,-7.63,;7.73,-7.28,;10.27,-6.51,;11.76,-6.86,;12.81,-5.72,;14.32,-6.07,;12.23,-8.32,;9.8,-5.06,;10.7,-3.81,;9.79,-2.57,;8.33,-3.04,;7,-2.27,;5.67,-3.04,;5.67,-4.58,;4.32,-5.37,;7,-5.35,;8.33,-4.58,;7,-.73,;8.33,.04,;8.33,1.59,;7,2.36,;5.67,1.59,;5.67,.04,;4.32,-.75,;5.11,-2.08,;2.98,-1.52,;3.54,.6,)|
Show InChI InChI=1S/C20H15BrF3N5O2/c1-10-25-16(12-6-4-5-7-13(12)20(22,23)24)17-19(26-10)29(28-27-17)18-14(21)8-11(30-2)9-15(18)31-3/h4-9H,1-3H3
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 21n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50076780
PNG
((2-Bromo-4,6-dimethoxy-phenyl)-[2-methyl-5-nitro-6...)
Show SMILES COc1cc(Br)c(Nc2nc(C)nc(-c3ccccc3C(F)(F)F)c2[N+]([O-])=O)c(OC)c1
Show InChI InChI=1S/C20H16BrF3N4O4/c1-10-25-16(12-6-4-5-7-13(12)20(22,23)24)18(28(29)30)19(26-10)27-17-14(21)8-11(31-2)9-15(17)32-3/h4-9H,1-3H3,(H,25,26,27)
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 23n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50076777
PNG
(9-(2-Bromo-4,6-dimethoxy-phenyl)-2,8-dimethyl-6-(2...)
Show SMILES COc1cc(Br)c(c(OC)c1)-n1c(C)nc2c(nc(C)nc12)-c1ccccc1C(F)(F)F |(10.58,-12.06,;11.63,-10.93,;11.18,-9.46,;9.67,-9.12,;9.22,-7.64,;7.73,-7.29,;10.27,-6.52,;11.77,-6.86,;12.82,-5.72,;14.33,-6.07,;12.23,-8.33,;9.81,-5.06,;10.71,-3.81,;12.25,-3.81,;9.8,-2.57,;8.34,-3.04,;7.01,-2.27,;5.67,-3.04,;5.67,-4.58,;4.32,-5.37,;7.01,-5.35,;8.34,-4.58,;7.01,-.73,;8.34,.04,;8.34,1.59,;7.01,2.36,;5.68,1.59,;5.68,.04,;4.32,-.75,;5.12,-2.08,;2.99,-1.52,;3.55,.6,)|
Show InChI InChI=1S/C22H18BrF3N4O2/c1-11-27-18(14-7-5-6-8-15(14)22(24,25)26)19-21(28-11)30(12(2)29-19)20-16(23)9-13(31-3)10-17(20)32-4/h5-10H,1-4H3
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 32n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50076783
PNG
(6-Methyl-3-methylsulfanyl-1-(2,4,6-trichloro-pheny...)
Show SMILES CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)nc(-c3ccccc3C(F)(F)F)c12 |(9.33,.71,;7.83,.39,;7.37,-1.07,;8.26,-2.31,;7.37,-3.55,;7.85,-5.02,;9.34,-5.32,;10.36,-4.19,;9.83,-6.79,;8.78,-7.95,;9.27,-9.41,;7.27,-7.62,;6.81,-6.16,;5.3,-5.85,;5.9,-3.07,;4.56,-3.86,;3.23,-3.07,;1.9,-3.84,;3.23,-1.54,;4.57,-.77,;4.56,.77,;5.9,1.55,;5.9,3.1,;4.56,3.87,;3.23,3.09,;3.23,1.55,;1.9,.78,;.4,1.35,;1.65,-.8,;.7,.09,;5.9,-1.54,)|
Show InChI InChI=1S/C20H12Cl3F3N4S/c1-9-27-16(11-5-3-4-6-12(11)20(24,25)26)15-18(28-9)30(29-19(15)31-2)17-13(22)7-10(21)8-14(17)23/h3-8H,1-2H3
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 33n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50076784
PNG
(CHEMBL10091 | N*4*-(2-Bromo-4,6-dimethoxy-phenyl)-...)
Show SMILES COc1cc(Br)c(Nc2nc(C)nc(c2N)-c2ccccc2C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C20H18BrF3N4O2/c1-10-26-17(12-6-4-5-7-13(12)20(22,23)24)16(25)19(27-10)28-18-14(21)8-11(29-2)9-15(18)30-3/h4-9H,25H2,1-3H3,(H,26,27,28)
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 60n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50076787
PNG
(9-(2-Bromo-4,6-dimethoxy-phenyl)-2,7-dimethyl-6-(2...)
Show SMILES COc1cc(Br)c(c(OC)c1)-n1c2nc(C)nc(-c3ccccc3C(F)(F)F)c2n(C)c1=O |(10.58,-12.06,;11.63,-10.93,;11.18,-9.46,;9.67,-9.12,;9.22,-7.64,;7.73,-7.29,;10.27,-6.52,;11.77,-6.86,;12.82,-5.72,;14.33,-6.07,;12.23,-8.33,;9.81,-5.06,;8.34,-4.58,;7.01,-5.35,;5.67,-4.58,;4.32,-5.37,;5.67,-3.04,;7.01,-2.27,;7.01,-.73,;8.34,.04,;8.34,1.59,;7.01,2.36,;5.68,1.59,;5.68,.04,;4.32,-.75,;2.99,-1.52,;3.55,.6,;5.12,-2.08,;8.34,-3.04,;9.8,-2.57,;10.27,-1.1,;10.71,-3.81,;12.25,-3.81,)|
Show InChI InChI=1S/C22H18BrF3N4O3/c1-11-27-17(13-7-5-6-8-14(13)22(24,25)26)19-20(28-11)30(21(31)29(19)2)18-15(23)9-12(32-3)10-16(18)33-4/h5-10H,1-4H3
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 96n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50076778
PNG
(5-Methyl-7-(2-trifluoromethyl-phenyl)-3-(2,4,6-tri...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1nnc2c(nc(C)nc12)-c1ccccc1C(F)(F)F |(10.16,-13.45,;9.74,-11.95,;8.24,-11.56,;7.84,-10.09,;6.33,-9.71,;8.92,-8.99,;10.41,-9.38,;11.48,-8.29,;10.81,-10.86,;8.52,-7.5,;9.41,-6.26,;8.52,-5.02,;7.05,-5.49,;5.72,-4.72,;4.39,-5.49,;4.39,-7.03,;3.04,-7.82,;5.72,-7.8,;7.05,-7.03,;5.72,-3.17,;7.05,-2.4,;7.05,-.85,;5.72,-.08,;4.39,-.86,;4.39,-2.4,;3.04,-3.18,;1.7,-3.97,;2.26,-1.84,;3.83,-4.53,)|
Show InChI InChI=1S/C21H18F3N5/c1-11-9-12(2)19(13(3)10-11)29-20-18(27-28-29)17(25-14(4)26-20)15-7-5-6-8-16(15)21(22,23)24/h5-10H,1-4H3
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 168n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50076781
PNG
(9-(2-Bromo-4,6-dimethoxy-phenyl)-2-methyl-6-(2-tri...)
Show SMILES COc1cc(Br)c(c(OC)c1)-n1c2nc(C)nc(-c3ccccc3C(F)(F)F)c2[nH]c1=O |(10.57,-12.06,;11.62,-10.92,;11.18,-9.45,;9.66,-9.12,;9.22,-7.64,;7.73,-7.29,;10.27,-6.52,;11.76,-6.86,;12.81,-5.72,;14.32,-6.07,;12.23,-8.33,;9.8,-5.06,;8.34,-4.58,;7.01,-5.35,;5.67,-4.58,;4.32,-5.37,;5.67,-3.04,;7.01,-2.27,;7.01,-.73,;8.34,.04,;8.34,1.59,;7.01,2.36,;5.68,1.59,;5.68,.04,;4.32,-.75,;2.99,-1.52,;3.55,.6,;5.12,-2.08,;8.34,-3.04,;9.8,-2.57,;10.71,-3.81,;12.25,-3.81,)|
Show InChI InChI=1S/C21H16BrF3N4O3/c1-10-26-16(12-6-4-5-7-13(12)21(23,24)25)17-19(27-10)29(20(30)28-17)18-14(22)8-11(31-2)9-15(18)32-3/h4-9H,1-3H3,(H,28,30)
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 202n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Antagonistic activity for Corticotropin releasing factor receptor 1

Bioorg Med Chem Lett 9: 1063-6 (1999)


BindingDB Entry DOI: 10.7270/Q21V5D5N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%