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PubMed code 9873487

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))		BDBM50071235
PNG
(CHEMBL65078 | Cyclopropylmethyl-[3-(2,4-dichloro-p...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(17.18,-6.55,;17.15,-8.09,;15.79,-8.82,;15.75,-10.36,;17.06,-11.17,;17.01,-12.71,;18.31,-13.5,;15.65,-13.44,;14.4,-11.1,;14.35,-12.63,;12.98,-13.38,;12.93,-14.91,;11.67,-12.57,;11.72,-11.01,;10.61,-9.94,;11.28,-8.56,;10.55,-7.21,;12.81,-8.78,;13.09,-10.29,;9.11,-10.22,;8.1,-9.04,;6.59,-9.31,;6.08,-10.76,;4.57,-11.03,;7.07,-11.93,;8.59,-11.67,;9.57,-12.83,)|
Show InChI InChI=1S/C21H24Cl2N4/c1-4-9-26(12-15-5-6-15)19-10-13(2)24-21-20(14(3)25-27(19)21)17-8-7-16(22)11-18(17)23/h7-8,10-11,15H,4-6,9,12H2,1-3H3
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 3.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50071234
PNG
(Butyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-pyrazo...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(3.7,2.11,;2.35,2.88,;1.03,2.11,;-.31,2.86,;-1.64,2.07,;-2.97,2.84,;-4.32,2.07,;-1.64,.53,;-2.97,-.24,;-2.97,-1.78,;-4.29,-2.55,;-1.63,-2.53,;-.29,-1.76,;1.19,-2.22,;2.06,-.96,;3.6,-.94,;1.15,.28,;-.31,-.22,;1.68,-3.67,;.65,-4.82,;1.13,-6.29,;2.64,-6.59,;3.15,-8.05,;3.67,-5.42,;3.18,-3.96,;4.18,-2.8,)|
Show InChI InChI=1S/C20H24Cl2N4/c1-5-7-10-25(6-2)18-11-13(3)23-20-19(14(4)24-26(18)20)16-9-8-15(21)12-17(16)22/h8-9,11-12H,5-7,10H2,1-4H3
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 5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50071238
PNG
(3-(2,4-Dichloro-phenyl)-2,5-dimethyl-7-(2-propyl-p...)
Show SMILES CCCC1CCCCN1c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(11.28,.47,;9.94,1.24,;8.62,.47,;7.28,1.24,;7.28,2.78,;5.94,3.56,;4.61,2.78,;4.61,1.24,;5.94,.45,;5.94,-1.09,;4.61,-1.86,;4.61,-3.41,;3.28,-4.18,;5.94,-4.18,;7.27,-3.41,;8.75,-3.89,;9.68,-2.63,;11.21,-2.63,;8.75,-1.36,;7.27,-1.86,;9.23,-5.35,;10.73,-5.65,;11.21,-7.11,;10.19,-8.27,;10.65,-9.72,;8.68,-7.95,;8.2,-6.48,;6.7,-6.15,)|
Show InChI InChI=1S/C22H26Cl2N4/c1-4-7-17-8-5-6-11-27(17)20-12-14(2)25-22-21(15(3)26-28(20)22)18-10-9-16(23)13-19(18)24/h9-10,12-13,17H,4-8,11H2,1-3H3
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 6.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50071229
PNG
(CHEMBL302645 | [3-(2,4-Dichloro-phenyl)-2,5-dimeth...)
Show SMILES CCN(CCOC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(7.35,2.01,;7.38,.47,;6.03,-.32,;4.69,.45,;4.69,1.99,;3.34,2.76,;3.34,4.31,;6.03,-1.86,;4.69,-2.63,;4.69,-4.18,;3.37,-4.94,;6.03,-4.94,;7.35,-4.18,;8.82,-4.66,;9.75,-3.4,;11.29,-3.4,;8.82,-2.13,;7.35,-2.63,;9.3,-6.12,;10.81,-6.42,;11.29,-7.88,;10.26,-9.04,;10.74,-10.49,;8.76,-8.71,;8.28,-7.25,;6.77,-6.92,)|
Show InChI InChI=1S/C19H22Cl2N4O/c1-5-24(8-9-26-4)17-10-12(2)22-19-18(13(3)23-25(17)19)15-7-6-14(20)11-16(15)21/h6-7,10-11H,5,8-9H2,1-4H3
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 11n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50071233
PNG
(Butyl-[3-(2-chloro-phenyl)-2,5-dimethyl-pyrazolo[1...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccccc1Cl |(8.21,3.42,;8.21,1.88,;6.89,1.11,;6.89,-.43,;5.55,-1.22,;4.23,-.45,;4.23,1.09,;5.55,-2.76,;4.23,-3.52,;4.23,-5.07,;2.89,-5.84,;5.55,-5.84,;6.89,-5.07,;8.36,-5.55,;9.29,-4.29,;10.81,-4.29,;8.36,-3.02,;6.89,-3.52,;8.84,-7.02,;7.82,-8.15,;8.3,-9.61,;9.81,-9.93,;10.83,-8.78,;10.35,-7.32,;11.38,-6.16,)|
Show InChI InChI=1S/C20H25ClN4/c1-5-7-12-24(6-2)18-13-14(3)22-20-19(15(4)23-25(18)20)16-10-8-9-11-17(16)21/h8-11,13H,5-7,12H2,1-4H3
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 15n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50071226
PNG
(Butyl-[3-(2,4-dichloro-phenyl)-5-methyl-pyrazolo[1...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(cnn12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H22Cl2N4/c1-4-6-9-24(5-2)18-10-13(3)23-19-16(12-22-25(18)19)15-8-7-14(20)11-17(15)21/h7-8,10-12H,4-6,9H2,1-3H3
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 40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50071232
PNG
(3-(2,4-Dichloro-phenyl)-2,5-dimethyl-7-piperidin-1...)
Show SMILES Cc1nn2c(cc(C)nc2c1-c1ccc(Cl)cc1Cl)N1CCCCC1 |(11.25,-2.63,;9.71,-2.63,;8.78,-1.36,;7.31,-1.86,;5.97,-1.09,;4.65,-1.86,;4.65,-3.41,;3.31,-4.18,;5.97,-4.18,;7.31,-3.41,;8.78,-3.89,;9.26,-5.35,;10.77,-5.65,;11.25,-7.11,;10.22,-8.27,;10.68,-9.72,;8.71,-7.95,;8.23,-6.48,;6.73,-6.15,;5.97,.45,;7.32,1.24,;7.32,2.78,;5.99,3.56,;4.65,2.78,;4.65,1.24,)|
Show InChI InChI=1S/C19H20Cl2N4/c1-12-10-17(24-8-4-3-5-9-24)25-19(22-12)18(13(2)23-25)15-7-6-14(20)11-16(15)21/h6-7,10-11H,3-5,8-9H2,1-2H3
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 41n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
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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 56n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50071228
PNG
(Butyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-pyrazo...)
Show SMILES CCCCNc1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(8.63,4.31,;8.65,2.78,;7.31,2.01,;7.32,.47,;5.97,-.32,;5.97,-1.86,;4.65,-2.63,;4.65,-4.18,;3.31,-4.94,;5.97,-4.94,;7.31,-4.18,;8.78,-4.66,;9.71,-3.4,;11.25,-3.4,;8.78,-2.13,;7.31,-2.63,;9.26,-6.12,;10.77,-6.42,;11.25,-7.88,;10.22,-9.04,;10.68,-10.49,;8.71,-8.71,;8.23,-7.25,;6.73,-6.92,)|
Show InChI InChI=1S/C18H20Cl2N4/c1-4-5-8-21-16-9-11(2)22-18-17(12(3)23-24(16)18)14-7-6-13(19)10-15(14)20/h6-7,9-10,21H,4-5,8H2,1-3H3
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 69n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50071237
PNG
(Butyl-[3-(4-chloro-phenyl)-2,5-dimethyl-pyrazolo[1...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H25ClN4/c1-5-7-12-24(6-2)18-13-14(3)22-20-19(15(4)23-25(18)20)16-8-10-17(21)11-9-16/h8-11,13H,5-7,12H2,1-4H3
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 77n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50071230
PNG
(Butyl-[2,5-dimethyl-3-(2,4,6-trichloro-phenyl)-pyr...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1c(Cl)cc(Cl)cc1Cl |(8.21,4.32,;8.21,2.78,;6.89,2.01,;6.89,.47,;5.55,-.32,;4.23,.45,;4.23,1.99,;5.55,-1.86,;4.23,-2.63,;4.23,-4.18,;2.89,-4.95,;5.55,-4.95,;6.89,-4.18,;8.36,-4.66,;9.29,-3.4,;10.81,-3.4,;8.36,-2.13,;6.89,-2.63,;8.84,-6.12,;10.35,-6.42,;11.38,-5.27,;10.83,-7.88,;9.81,-9.04,;10.26,-10.49,;8.3,-8.72,;7.82,-7.25,;6.31,-6.92,)|
Show InChI InChI=1S/C20H23Cl3N4/c1-5-7-8-26(6-2)17-9-12(3)24-20-18(13(4)25-27(17)20)19-15(22)10-14(21)11-16(19)23/h9-11H,5-8H2,1-4H3
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 93n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50071227
PNG
(CHEMBL65574 | N-Butyl-N-[3-(2,4-dichloro-phenyl)-2...)
Show SMILES CCCCN(OC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(8.63,4.31,;8.65,2.78,;7.31,2.01,;7.32,.47,;5.97,-.32,;4.65,.47,;4.65,2.01,;5.97,-1.86,;4.65,-2.63,;4.65,-4.18,;3.31,-4.94,;5.97,-4.94,;7.31,-4.18,;8.78,-4.66,;9.71,-3.4,;11.25,-3.4,;8.78,-2.13,;7.31,-2.63,;9.26,-6.12,;10.77,-6.42,;11.25,-7.88,;10.22,-9.04,;10.68,-10.49,;8.71,-8.71,;8.23,-7.25,;6.73,-6.92,)|
Show InChI InChI=1S/C19H22Cl2N4O/c1-5-6-9-24(26-4)17-10-12(2)22-19-18(13(3)23-25(17)19)15-8-7-14(20)11-16(15)21/h7-8,10-11H,5-6,9H2,1-4H3
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 216n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50071236
PNG
(3-(2,4-Dichloro-phenyl)-2,5-dimethyl-7-morpholin-4...)
Show SMILES Cc1nn2c(cc(C)nc2c1-c1ccc(Cl)cc1Cl)N1CCOCC1 |(11.25,-2.67,;9.71,-2.67,;8.78,-1.39,;7.31,-1.9,;5.97,-1.13,;4.65,-1.9,;4.65,-3.44,;3.31,-4.21,;5.97,-4.21,;7.31,-3.44,;8.78,-3.92,;9.26,-5.39,;10.77,-5.68,;11.25,-7.16,;10.22,-8.31,;10.68,-9.75,;8.72,-7.99,;8.24,-6.52,;6.73,-6.2,;5.97,.41,;7.32,1.21,;7.32,2.75,;5.99,3.51,;4.65,2.75,;4.65,1.21,)|
Show InChI InChI=1S/C18H18Cl2N4O/c1-11-9-16(23-5-7-25-8-6-23)24-18(21-11)17(12(2)22-24)14-4-3-13(19)10-15(14)20/h3-4,9-10H,5-8H2,1-2H3
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 310n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50071231
PNG
(Butyl-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimi...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccccc1
Show InChI InChI=1S/C20H26N4/c1-5-7-13-23(6-2)18-14-15(3)21-20-19(16(4)22-24(18)20)17-11-9-8-10-12-17/h8-12,14H,5-7,13H2,1-4H3
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 511n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells

Bioorg Med Chem Lett 8: 2067-70 (1999)


BindingDB Entry DOI: 10.7270/Q2125RTC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%