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PubMed code 10669572

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))		BDBM50084878
PNG
(Butyl-[8-(2,4-dichloro-phenyl)-2,7-dimethyl-pyrazo...)
Show SMILES CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(6.56,7.35,;6.07,5.89,;4.59,5.55,;4.12,4.1,;2.61,3.75,;1.57,4.9,;2.03,6.37,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
Show InChI InChI=1S/C19H23Cl2N5/c1-5-7-10-25(6-2)19-23-13(4)22-18-17(12(3)24-26(18)19)15-9-8-14(20)11-16(15)21/h8-9,11H,5-7,10H2,1-4H3
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 0.400n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50084876
PNG
(CHEMBL344223 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(6.07,5.89,;4.59,5.55,;4.12,4.1,;2.61,3.75,;1.57,4.9,;2.03,6.37,;3.54,6.69,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
Show InChI InChI=1S/C19H23Cl2N5/c1-5-9-25(10-6-2)19-23-13(4)22-18-17(12(3)24-26(18)19)15-8-7-14(20)11-16(15)21/h7-8,11H,5-6,9-10H2,1-4H3
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 0.600n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50084880
PNG
(CHEMBL140894 | Cyclopropylmethyl-[8-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(6.07,5.89,;4.59,5.55,;4.12,4.1,;2.61,3.75,;1.57,4.9,;.08,4.58,;-1.4,5.04,;-1.08,3.53,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
Show InChI InChI=1S/C20H23Cl2N5/c1-4-9-26(11-14-5-6-14)20-24-13(3)23-19-18(12(2)25-27(19)20)16-8-7-15(21)10-17(16)22/h7-8,10,14H,4-6,9,11H2,1-3H3
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 0.700n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50084873
PNG
(CHEMBL336678 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(10.17,.44,;8.83,1.19,;7.5,.42,;6.27,1.35,;4.86,.77,;7.11,-1.07,;6.63,-2.54,;5.13,-2.87,;4.67,-4.34,;3.15,-4.68,;5.71,-5.47,;7.21,-5.15,;8.46,-6.05,;9.7,-5.15,;11.17,-5.61,;9.21,-3.67,;7.67,-3.68,;8.46,-7.59,;7.14,-8.37,;7.14,-9.91,;8.46,-10.68,;8.46,-12.23,;9.81,-9.91,;9.81,-8.37,;11.13,-7.57,)|
Show InChI InChI=1S/C18H21Cl2N5/c1-5-13(6-2)23-18-22-11(4)21-17-16(10(3)24-25(17)18)14-8-7-12(19)9-15(14)20/h7-9,13H,5-6H2,1-4H3,(H,21,22,23)
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 1.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50084869
PNG
(CHEMBL337768 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(2.03,6.37,;1.57,4.9,;2.61,3.75,;4.12,4.1,;4.59,5.55,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
Show InChI InChI=1S/C17H19Cl2N5/c1-5-23(6-2)17-21-11(4)20-16-15(10(3)22-24(16)17)13-8-7-12(18)9-14(13)19/h7-9H,5-6H2,1-4H3
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 1.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50084877
PNG
(CHEMBL140143 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(15.31,1.18,;13.83,.79,;12.75,1.88,;11.26,1.46,;10.18,2.56,;8.69,2.14,;10.88,-.04,;10.39,-1.49,;8.9,-1.84,;8.44,-3.28,;6.93,-3.64,;9.48,-4.41,;10.97,-4.09,;12.22,-4.98,;13.45,-4.09,;14.92,-4.57,;12.97,-2.61,;11.43,-2.64,;12.22,-6.52,;10.91,-7.29,;10.91,-8.83,;12.22,-9.6,;12.22,-11.14,;13.57,-8.83,;13.57,-7.29,;14.89,-6.52,)|
Show InChI InChI=1S/C19H23Cl2N5/c1-5-7-14(6-2)24-19-23-12(4)22-18-17(11(3)25-26(18)19)15-9-8-13(20)10-16(15)21/h8-10,14H,5-7H2,1-4H3,(H,22,23,24)
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 1.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50084874
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(12.07,5.86,;11.59,4.39,;10.11,4.06,;9.63,2.6,;8.13,2.27,;7.1,3.4,;7.55,4.88,;7.64,.8,;6.17,.47,;5.69,-.99,;4.18,-1.33,;6.75,-2.12,;8.22,-1.8,;9.47,-2.69,;10.72,-1.8,;12.17,-2.26,;10.24,-.32,;8.7,-.33,;9.47,-4.23,;8.16,-5,;8.16,-6.54,;9.47,-7.31,;9.47,-8.85,;10.82,-6.54,;10.82,-5,;12.14,-4.21,)|
Show InChI InChI=1S/C19H23Cl2N5/c1-5-7-10-25(6-2)19-23-13(4)22-18-17(12(3)24-26(18)19)15-9-8-14(20)11-16(15)21/h8-9,11H,5-7,10H2,1-4H3
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 1.60n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50084870
PNG
(CHEMBL141085 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCCCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(17.92,-3.84,;16.84,-2.77,;15.35,-3.15,;14.26,-2.06,;12.77,-2.48,;11.69,-1.38,;10.2,-1.78,;12.39,-3.97,;11.9,-5.44,;10.4,-5.77,;9.94,-7.24,;8.43,-7.57,;10.98,-8.37,;12.48,-8.04,;13.74,-8.94,;14.97,-8.04,;16.44,-8.5,;14.49,-6.56,;12.94,-6.57,;13.74,-10.47,;12.42,-11.26,;12.42,-12.81,;13.74,-13.58,;13.74,-15.12,;15.09,-12.81,;15.09,-11.26,;16.41,-10.47,)|
Show InChI InChI=1S/C20H25Cl2N5/c1-5-7-8-15(6-2)25-20-24-13(4)23-19-18(12(3)26-27(19)20)16-10-9-14(21)11-17(16)22/h9-11,15H,5-8H2,1-4H3,(H,23,24,25)
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 1.60n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50084881
PNG
(CHEMBL138154 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCCC(CCC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(18.94,.92,;17.43,.53,;16.37,1.63,;14.86,1.21,;13.8,2.3,;12.3,1.88,;11.21,2.97,;14.48,-.3,;14,-1.74,;12.52,-2.1,;12.04,-3.54,;10.53,-3.89,;13.1,-4.66,;14.57,-4.34,;15.83,-5.24,;17.08,-4.34,;18.52,-4.82,;16.6,-2.87,;15.06,-2.9,;15.83,-6.78,;14.51,-7.55,;14.51,-9.09,;15.83,-9.86,;15.83,-11.4,;17.17,-9.09,;17.17,-7.55,;18.49,-6.78,)|
Show InChI InChI=1S/C20H25Cl2N5/c1-5-7-15(8-6-2)25-20-24-13(4)23-19-18(12(3)26-27(19)20)16-10-9-14(21)11-17(16)22/h9-11,15H,5-8H2,1-4H3,(H,23,24,25)
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 1.60n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
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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 1.70n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50084879
PNG
(CHEMBL141084 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(7.68,2.14,;6.65,3.27,;5.14,2.94,;4.12,4.1,;2.61,3.75,;1.57,4.9,;.08,4.58,;-.96,5.7,;-2.47,5.38,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
Show InChI InChI=1S/C19H23Cl2N5O2/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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 1.80n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50084872
PNG
(CHEMBL138155 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(7.35,1.18,;6.96,-.3,;5.47,-.72,;4.4,.37,;4.78,1.85,;3.67,2.94,;5.1,-2.22,;4.62,-3.67,;3.12,-4.02,;2.66,-5.47,;1.16,-5.82,;3.7,-6.59,;5.2,-6.27,;6.43,-7.17,;7.68,-6.27,;9.14,-6.75,;7.2,-4.79,;5.66,-4.82,;6.43,-8.71,;5.13,-9.48,;5.13,-11.02,;6.43,-11.79,;6.43,-13.33,;7.8,-11.02,;7.8,-9.48,;9.11,-8.71,)|
Show InChI InChI=1S/C18H21Cl2N5O/c1-5-13(9-26-4)23-18-22-11(3)21-17-16(10(2)24-25(17)18)14-7-6-12(19)8-15(14)20/h6-8,13H,5,9H2,1-4H3,(H,21,22,23)
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 1.90n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50084868
PNG
(CHEMBL141692 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCOCC(COCC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(7.15,7.54,;6.77,6.06,;7.87,4.97,;7.49,3.49,;8.6,2.41,;10.07,2.82,;10.46,4.3,;11.93,4.72,;12.32,6.21,;8.19,.9,;7.73,-.56,;6.22,-.9,;5.77,-2.35,;4.27,-2.69,;6.8,-3.48,;8.29,-3.15,;9.54,-4.05,;10.78,-3.14,;12.25,-3.63,;10.3,-1.68,;8.76,-1.7,;9.56,-5.58,;8.22,-6.36,;8.22,-7.9,;9.56,-8.67,;9.54,-10.21,;10.89,-7.9,;10.89,-6.35,;12.22,-5.58,)|
Show InChI InChI=1S/C20H25Cl2N5O2/c1-5-28-10-15(11-29-6-2)25-20-24-13(4)23-19-18(12(3)26-27(19)20)16-8-7-14(21)9-17(16)22/h7-9,15H,5-6,10-11H2,1-4H3,(H,23,24,25)
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 6.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50084871
PNG
(CHEMBL334935 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CN(c1ccccc1)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(1.23,2.46,;2.28,1.3,;3.79,1.64,;4.25,3.1,;5.74,3.43,;6.78,2.3,;6.32,.82,;4.81,.5,;1.81,-.16,;.3,-.49,;-.15,-1.96,;-1.66,-2.29,;.88,-3.08,;2.37,-2.76,;3.63,-3.66,;4.86,-2.74,;6.33,-3.22,;4.37,-1.28,;2.83,-1.29,;3.64,-5.18,;2.31,-5.97,;2.31,-7.51,;3.64,-8.28,;3.63,-9.82,;4.97,-7.51,;4.97,-5.95,;6.3,-5.18,)|
Show InChI InChI=1S/C20H17Cl2N5/c1-12-18(16-10-9-14(21)11-17(16)22)19-23-13(2)24-20(27(19)25-12)26(3)15-7-5-4-6-8-15/h4-11H,1-3H3
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 44.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1

J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%