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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50042275   
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))
BDBM50423382
PNG
(CHEMBL251386)
Show SMILES CCCC(CCC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C25H30N4/c1-5-7-21(8-6-2)29-16-20-11-12-28(22-10-9-19(15-26)13-17(22)3)25-24(20)23(29)14-18(4)27-25/h9-10,13-14,16,21H,5-8,11-12H2,1-4H3
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423385
PNG
(CHEMBL248962)
Show SMILES CCC(CC)n1cc2CCN(c3ccc(OC)cc3C)c3nc(C)cc1c23
Show InChI InChI=1S/C23H29N3O/c1-6-18(7-2)26-14-17-10-11-25(20-9-8-19(27-5)12-15(20)3)23-22(17)21(26)13-16(4)24-23/h8-9,12-14,18H,6-7,10-11H2,1-5H3
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423380
PNG
(CHEMBL413134)
Show SMILES CCC(CC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C23H26N4/c1-5-19(6-2)27-14-18-9-10-26(20-8-7-17(13-24)11-15(20)3)23-22(18)21(27)12-16(4)25-23/h7-8,11-12,14,19H,5-6,9-10H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423373
PNG
(CHEMBL178949)
Show SMILES CCCC(CCC)n1cc2CCN(c3ccc(cc3C(F)(F)F)C(F)(F)F)c3nc(C)nc1c23
Show InChI InChI=1S/C24H26F6N4/c1-4-6-17(7-5-2)34-13-15-10-11-33(21-20(15)22(34)32-14(3)31-21)19-9-8-16(23(25,26)27)12-18(19)24(28,29)30/h8-9,12-13,17H,4-7,10-11H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
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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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423375
PNG
(CHEMBL179435)
Show SMILES CCC(CC)n1cc2CCN(c3ccc(cc3C(F)(F)F)C(F)(F)F)c3nc(C)nc1c23
Show InChI InChI=1S/C22H22F6N4/c1-4-15(5-2)32-11-13-8-9-31(19-18(13)20(32)30-12(3)29-19)17-7-6-14(21(23,24)25)10-16(17)22(26,27)28/h6-7,10-11,15H,4-5,8-9H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423379
PNG
(CHEMBL179608)
Show SMILES CCCC(CCC)N1CCC2CN(c3nc(C)nc1c23)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H28Cl2N4/c1-4-6-17(7-5-2)27-11-10-15-13-28(19-9-8-16(23)12-18(19)24)22-20(15)21(27)25-14(3)26-22/h8-9,12,15,17H,4-7,10-11,13H2,1-3H3
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423383
PNG
(CHEMBL250182)
Show SMILES CCCC(CCC)n1cc2CCN(c3ccc(OC)c(F)c3)c3nc(C)cc1c23
Show InChI InChI=1S/C24H30FN3O/c1-5-7-18(8-6-2)28-15-17-11-12-27(19-9-10-22(29-4)20(25)14-19)24-23(17)21(28)13-16(3)26-24/h9-10,13-15,18H,5-8,11-12H2,1-4H3
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
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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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423374
PNG
(CHEMBL251551)
Show SMILES CCC(COC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C23H26N4O/c1-5-19(14-28-4)27-13-18-8-9-26(20-7-6-17(12-24)10-15(20)2)23-22(18)21(27)11-16(3)25-23/h6-7,10-11,13,19H,5,8-9,14H2,1-4H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423381
PNG
(CHEMBL250996)
Show SMILES CCC(CC)n1cc2CCN(c3ccc(OC)c(F)c3)c3nc(C)cc1c23
Show InChI InChI=1S/C22H26FN3O/c1-5-16(6-2)26-13-15-9-10-25(17-7-8-20(27-4)18(23)12-17)22-21(15)19(26)11-14(3)24-22/h7-8,11-13,16H,5-6,9-10H2,1-4H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423371
PNG
(CHEMBL180025)
Show SMILES CCCC(CCC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)nc1c23
Show InChI InChI=1S/C24H29N5/c1-5-7-20(8-6-2)29-15-19-11-12-28(21-10-9-18(14-25)13-16(21)3)23-22(19)24(29)27-17(4)26-23/h9-10,13,15,20H,5-8,11-12H2,1-4H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423386
PNG
(CHEMBL251344)
Show SMILES CCC(CC)n1cc2CCN(c3ccc(OC)cc3)c3nc(C)cc1c23
Show InChI InChI=1S/C22H27N3O/c1-5-17(6-2)25-14-16-11-12-24(18-7-9-19(26-4)10-8-18)22-21(16)20(25)13-15(3)23-22/h7-10,13-14,17H,5-6,11-12H2,1-4H3
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423378
PNG
(CHEMBL250603)
Show SMILES CCC(CC)n1cc2CCN(c3ccc(OC(F)(F)F)cc3C)c3nc(C)cc1c23
Show InChI InChI=1S/C23H26F3N3O/c1-5-17(6-2)29-13-16-9-10-28(22-21(16)20(29)12-15(4)27-22)19-8-7-18(11-14(19)3)30-23(24,25)26/h7-8,11-13,17H,5-6,9-10H2,1-4H3
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423372
PNG
(CHEMBL250982)
Show SMILES CCCC(CCC)n1cc2CCN(c3ccc(cc3C(F)(F)F)C(F)(F)F)c3nc(C)cc1c23
Show InChI InChI=1S/C25H27F6N3/c1-4-6-18(7-5-2)34-14-16-10-11-33(23-22(16)21(34)12-15(3)32-23)20-9-8-17(24(26,27)28)13-19(20)25(29,30)31/h8-9,12-14,18H,4-7,10-11H2,1-3H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423377
PNG
(CHEMBL250803)
Show SMILES CCC(CC)n1cc2CCN(c3ccc(cc3C(F)(F)F)C(F)(F)F)c3nc(C)cc1c23
Show InChI InChI=1S/C23H23F6N3/c1-4-16(5-2)32-12-14-8-9-31(21-20(14)19(32)10-13(3)30-21)18-7-6-15(22(24,25)26)11-17(18)23(27,28)29/h6-7,10-12,16H,4-5,8-9H2,1-3H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423384
PNG
(CHEMBL430396)
Show SMILES CCCC(CCC)n1cc2CCN(c3ccc(OC)cc3C)c3nc(C)cc1c23
Show InChI InChI=1S/C25H33N3O/c1-6-8-20(9-7-2)28-16-19-12-13-27(22-11-10-21(29-5)14-17(22)3)25-24(19)23(28)15-18(4)26-25/h10-11,14-16,20H,6-9,12-13H2,1-5H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423376
PNG
(CHEMBL249333)
Show SMILES CCC(COC)n1cc2CCN(c3ccc(OC)cc3C)c3nc(C)cc1c23
Show InChI InChI=1S/C23H29N3O2/c1-6-18(14-27-4)26-13-17-9-10-25(20-8-7-19(28-5)11-15(20)2)23-22(17)21(26)12-16(3)24-23/h7-8,11-13,18H,6,9-10,14H2,1-5H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair