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Compile Data Set for Download or QSAR

Found 216 hits with Last Name = 'takeda' and Initial = 'k'   
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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM85786
PNG
(KUR-1246)
Show SMILES CN(C)C(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(O)c(CCO)c1
Show InChI InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1
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25.7n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 297: 666-71 (2001)


BindingDB Entry DOI: 10.7270/Q2D798Z1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM85786
PNG
(KUR-1246)
Show SMILES CN(C)C(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(O)c(CCO)c1
Show InChI InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 297: 666-71 (2001)


BindingDB Entry DOI: 10.7270/Q2D798Z1
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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n/an/a 4n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at CRF1 receptor in human IMR32 cells assessed as inhibition of CRF-induced intracellular cAMP accumulation after 30 mins by immu...


J Med Chem 55: 8450-63 (2012)


Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50398565
PNG
(CHEMBL2179195)
Show SMILES CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COCC)cc1OC |(2.51,-41.6,;3.29,-42.93,;4.83,-42.92,;5.59,-41.58,;7.13,-41.58,;7.85,-40.22,;9.39,-40.17,;10.11,-38.82,;9.3,-37.51,;7.76,-37.56,;7.03,-38.92,;7.67,-43.03,;6.79,-44.29,;5.26,-44.32,;4.52,-45.67,;7.72,-45.51,;9.18,-45.01,;10.66,-45.45,;11.53,-44.19,;10.6,-42.96,;9.15,-43.47,;11.4,-46.8,;10.62,-48.12,;9.08,-48.09,;8.28,-49.41,;11.36,-49.46,;12.9,-49.49,;13.65,-50.84,;15.19,-50.87,;15.93,-52.21,;17.47,-52.24,;13.69,-48.17,;12.94,-46.82,;13.74,-45.5,;12.99,-44.16,)|
Show InChI InChI=1S/C26H37N3O5S/c1-6-8-11-28(19-9-12-34-13-10-19)24-25(32-5)27-29-20(17-35-26(24)29)23-21(30-3)14-18(16-33-7-2)15-22(23)31-4/h14-15,17,19H,6-13,16H2,1-5H3
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n/an/a 7.10n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at CRF1 receptor in human IMR32 cells assessed as inhibition of CRF-induced intracellular cAMP accumulation after 30 mins by immu...


J Med Chem 55: 8450-63 (2012)


Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P
More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 14n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay


Bioorg Med Chem 19: 486-9 (2011)


Article DOI: 10.1016/j.bmc.2010.11.004
BindingDB Entry DOI: 10.7270/Q2JH3MGM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50334269
PNG
(4-tert-butyl-N-(imidazo[1,2-a]quinolin-2-yl)benzam...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2c(ccc3ccccc23)n1
Show InChI InChI=1S/C22H21N3O/c1-22(2,3)17-11-8-16(9-12-17)21(26)24-19-14-25-18-7-5-4-6-15(18)10-13-20(25)23-19/h4-14H,1-3H3,(H,24,26)
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n/an/a 15n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay


Bioorg Med Chem 19: 486-9 (2011)


Article DOI: 10.1016/j.bmc.2010.11.004
BindingDB Entry DOI: 10.7270/Q2JH3MGM
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101691
PNG
(US8530504, 53)
Show SMILES COCCN(C1CCCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-6.47,3.14,;-5.38,4.23,;-3.9,3.83,;-2.81,4.92,;-1.32,4.52,;-.23,5.61,;1.31,5.61,;1.79,7.08,;.54,7.98,;-.71,7.08,;-.92,3.04,;-1.83,1.79,;-3.37,1.79,;-4.14,.46,;-.92,.54,;.54,1.02,;2.01,.54,;2.91,1.79,;2.01,3.04,;.54,2.56,;2.41,-.94,;3.9,-1.34,;4.98,-.25,;6.47,-.65,;4.29,-2.83,;3.2,-3.92,;3.6,-5.41,;2.51,-6.49,;2.91,-7.98,;1.72,-3.52,;1.32,-2.03,;-.17,-1.63,;-1.26,-2.72,)|
Show InChI InChI=1S/C24H33N3O5S/c1-28-11-10-26(17-8-6-7-9-17)22-23(32-5)25-27-18(15-33-24(22)27)21-19(30-3)12-16(14-29-2)13-20(21)31-4/h12-13,15,17H,6-11,14H2,1-5H3
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n/an/a 18n/an/an/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101693
PNG
(US8530504, 55)
Show SMILES COCCN(CC(C)C)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-5.78,7.05,;-5.38,5.56,;-3.9,5.16,;-3.5,3.68,;-2.01,3.28,;-.92,4.37,;.57,3.97,;1.66,5.06,;1.66,2.88,;-1.61,1.79,;-2.52,.54,;-4.06,.54,;-4.83,-.79,;-1.61,-.7,;-.15,-.23,;1.32,-.7,;2.22,.54,;1.32,1.79,;-.15,1.31,;1.72,-2.19,;3.2,-2.59,;4.29,-1.5,;5.78,-1.9,;3.6,-4.08,;2.51,-5.16,;2.91,-6.65,;4.4,-7.05,;5.49,-5.96,;1.03,-4.77,;.63,-3.28,;-.86,-2.88,;-1.95,-3.97,)|
Show InChI InChI=1S/C23H33N3O5S/c1-15(2)12-25(8-9-27-3)21-22(31-7)24-26-17(14-32-23(21)26)20-18(29-5)10-16(13-28-4)11-19(20)30-6/h10-11,14-15H,8-9,12-13H2,1-7H3
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n/an/a 19n/an/an/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50334270
PNG
(2-methyl-2-(4-(6-(thiophen-3-yl)imidazo[1,2-a]pyri...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccsc1
Show InChI InChI=1S/C22H19N3O3S/c1-22(2,21(27)28)17-6-3-14(4-7-17)20(26)24-18-12-25-11-15(5-8-19(25)23-18)16-9-10-29-13-16/h3-13H,1-2H3,(H,24,26)(H,27,28)
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n/an/a 19n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay


Bioorg Med Chem 19: 486-9 (2011)


Article DOI: 10.1016/j.bmc.2010.11.004
BindingDB Entry DOI: 10.7270/Q2JH3MGM
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101692
PNG
(US8530504, 54)
Show SMILES COCCN(C1CCCCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-6.47,3.04,;-5.38,4.13,;-3.9,3.73,;-2.81,4.82,;-1.32,4.42,;-.23,5.51,;1.26,5.11,;2.35,6.2,;1.95,7.69,;.46,8.09,;-.63,7,;-.92,2.93,;-1.83,1.69,;-3.37,1.69,;-4.14,.35,;-.92,.44,;.54,.92,;2.01,.44,;2.91,1.69,;2.01,2.93,;.54,2.46,;2.41,-1.05,;3.9,-1.45,;4.98,-.36,;6.47,-.75,;4.29,-2.93,;3.2,-4.02,;3.6,-5.51,;2.51,-6.6,;2.91,-8.09,;1.72,-3.62,;1.32,-2.14,;-.17,-1.74,;-1.26,-2.83,)|
Show InChI InChI=1S/C25H35N3O5S/c1-29-12-11-27(18-9-7-6-8-10-18)23-24(33-5)26-28-19(16-34-25(23)28)22-20(31-3)13-17(15-30-2)14-21(22)32-4/h13-14,16,18H,6-12,15H2,1-5H3
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n/an/a 20n/an/an/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50394516
PNG
(CHEMBL2160157)
Show SMILES CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(Cl)cc(COC)cc1OC |(3.38,8.07,;2.04,7.32,;2.01,5.78,;3.33,4.99,;4.69,5.72,;.67,5.04,;-.65,5.83,;-2,5.08,;-2.02,3.54,;-3.37,2.79,;-4.69,3.58,;-.7,2.75,;-.73,1.21,;.6,.42,;1.94,1.17,;3.26,.37,;1.96,2.7,;.64,3.5,;.57,-1.12,;1.89,-1.91,;3.24,-1.17,;1.87,-3.45,;.52,-4.2,;.5,-5.74,;1.82,-6.53,;1.8,-8.07,;-.8,-3.41,;-.77,-1.87,;-2.1,-1.08,;-3.44,-1.83,)|
Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-9-10-20(29-5)24-17(19)11-15(3)23(26-24)22-18(25)12-16(14-28-4)13-21(22)30-6/h9-13H,7-8,14H2,1-6H3
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n/an/a 22n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated...


Bioorg Med Chem 20: 6559-78 (2012)


Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50389532
PNG
(CHEMBL2063375)
Show SMILES CCN(CCOC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(47.84,-10.28,;49.18,-11.04,;49.18,-12.58,;50.52,-13.35,;50.52,-14.89,;51.86,-15.65,;51.87,-17.19,;47.85,-13.36,;46.52,-12.59,;45.19,-13.36,;45.18,-14.91,;43.85,-15.68,;46.52,-15.67,;46.51,-17.21,;47.85,-17.99,;49.19,-17.21,;50.52,-17.98,;49.19,-15.67,;47.86,-14.91,;47.85,-19.52,;46.51,-20.29,;45.18,-19.52,;43.85,-20.29,;46.51,-21.83,;47.85,-22.6,;47.85,-24.14,;46.52,-24.91,;45.18,-24.14,;49.19,-21.82,;49.18,-20.29,;50.51,-19.51,;51.85,-20.28,)|
Show InChI InChI=1S/C26H34N2O4/c1-8-28(11-12-29-4)21-10-9-17(2)25-20(21)13-18(3)26(27-25)24-22(31-6)14-19(16-30-5)15-23(24)32-7/h9-10,13-15H,8,11-12,16H2,1-7H3
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n/an/a 23n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated...


Bioorg Med Chem 20: 6559-78 (2012)


Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50389532
PNG
(CHEMBL2063375)
Show SMILES CCN(CCOC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(47.84,-10.28,;49.18,-11.04,;49.18,-12.58,;50.52,-13.35,;50.52,-14.89,;51.86,-15.65,;51.87,-17.19,;47.85,-13.36,;46.52,-12.59,;45.19,-13.36,;45.18,-14.91,;43.85,-15.68,;46.52,-15.67,;46.51,-17.21,;47.85,-17.99,;49.19,-17.21,;50.52,-17.98,;49.19,-15.67,;47.86,-14.91,;47.85,-19.52,;46.51,-20.29,;45.18,-19.52,;43.85,-20.29,;46.51,-21.83,;47.85,-22.6,;47.85,-24.14,;46.52,-24.91,;45.18,-24.14,;49.19,-21.82,;49.18,-20.29,;50.51,-19.51,;51.85,-20.28,)|
Show InChI InChI=1S/C26H34N2O4/c1-8-28(11-12-29-4)21-10-9-17(2)25-20(21)13-18(3)26(27-25)24-22(31-6)14-19(16-30-5)15-23(24)32-7/h9-10,13-15H,8,11-12,16H2,1-7H3
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n/an/a 23n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3...


Bioorg Med Chem Lett 22: 5372-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50389530
PNG
(CHEMBL2063372)
Show SMILES CCN(CC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(9.62,-11.23,;10.96,-12,;10.96,-13.54,;12.3,-14.3,;12.3,-15.84,;9.63,-14.31,;8.3,-13.55,;6.97,-14.32,;6.96,-15.86,;5.63,-16.63,;8.3,-16.63,;8.29,-18.17,;9.63,-18.94,;10.97,-18.17,;12.3,-18.93,;10.97,-16.63,;9.64,-15.86,;9.63,-20.48,;8.29,-21.25,;6.96,-20.48,;5.63,-21.25,;8.29,-22.79,;9.63,-23.56,;9.63,-25.1,;8.3,-25.87,;6.96,-25.1,;10.97,-22.78,;10.96,-21.24,;12.29,-20.47,;13.63,-21.24,)|
Show InChI InChI=1S/C25H32N2O3/c1-8-27(9-2)20-11-10-16(3)24-19(20)12-17(4)25(26-24)23-21(29-6)13-18(15-28-5)14-22(23)30-7/h10-14H,8-9,15H2,1-7H3
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n/an/a 24n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3...


Bioorg Med Chem Lett 22: 5372-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101697
PNG
(US8530504, 59)
Show SMILES CCN(C1CCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(.53,5.73,;-1.01,5.73,;-2.1,4.64,;-3.59,5.04,;-4.36,6.38,;-5.69,5.61,;-4.92,4.27,;-1.7,3.16,;-2.61,1.91,;-4.15,1.91,;-4.92,.58,;-1.7,.66,;-.24,1.14,;1.23,.66,;2.13,1.91,;1.23,3.16,;-.24,2.68,;1.63,-.82,;3.11,-1.22,;4.2,-.13,;5.69,-.53,;3.51,-2.71,;2.42,-3.8,;2.82,-5.29,;1.73,-6.38,;.25,-5.98,;.94,-3.4,;.54,-1.91,;-.95,-1.51,;-2.04,-2.6,)|
Show InChI InChI=1S/C22H29N3O4S/c1-6-24(15-8-7-9-15)20-21(29-5)23-25-16(13-30-22(20)25)19-17(27-3)10-14(12-26-2)11-18(19)28-4/h10-11,13,15H,6-9,12H2,1-5H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101679
PNG
(US8530504, 41)
Show SMILES CCCCN(CCOC)c1c(OC)nn2c(csc12)-c1c(OC)cc(COCC)cc1OC |(3.83,7.29,;2.35,7.69,;1.26,6.6,;-.23,7,;-1.32,5.91,;-2.81,6.31,;-3.9,5.22,;-5.38,5.62,;-6.47,4.53,;-.92,4.42,;-1.83,3.17,;-3.37,3.17,;-4.14,1.84,;-.92,1.93,;.54,2.4,;2.01,1.93,;2.91,3.17,;2.01,4.42,;.54,3.94,;2.41,.44,;3.9,.04,;4.98,1.13,;6.47,.73,;4.29,-1.45,;3.2,-2.53,;3.6,-4.02,;2.51,-5.11,;2.91,-6.6,;1.82,-7.69,;1.72,-2.14,;1.32,-.65,;-.17,-.25,;-1.26,-1.34,)|
Show InChI InChI=1S/C24H35N3O5S/c1-7-9-10-26(11-12-28-3)22-23(31-6)25-27-18(16-33-24(22)27)21-19(29-4)13-17(15-32-8-2)14-20(21)30-5/h13-14,16H,7-12,15H2,1-6H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101686
PNG
(US8530504, 48)
Show SMILES COCCN(CC1CCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-6.47,3.05,;-5.38,4.14,;-3.9,3.74,;-2.81,4.83,;-1.32,4.43,;-.23,5.52,;1.26,5.12,;2.03,3.79,;3.36,4.56,;2.59,5.89,;-.92,2.95,;-1.83,1.7,;-3.37,1.7,;-4.14,.37,;-.92,.45,;.54,.93,;2.01,.45,;2.91,1.7,;2.01,2.95,;.54,2.47,;2.41,-1.03,;3.9,-1.43,;4.98,-.34,;6.47,-.74,;4.29,-2.92,;3.2,-4.01,;3.6,-5.5,;5.09,-5.89,;6.18,-4.81,;1.72,-3.61,;1.32,-2.12,;-.17,-1.72,;-1.26,-2.81,)|
Show InChI InChI=1S/C24H33N3O5S/c1-28-10-9-26(13-16-7-6-8-16)22-23(32-5)25-27-18(15-33-24(22)27)21-19(30-3)11-17(14-29-2)12-20(21)31-4/h11-12,15-16H,6-10,13-14H2,1-5H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101663
PNG
(US8530504, 24)
Show SMILES CCCN(CCC)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(1.46,6.15,;.37,5.06,;-1.12,5.46,;-2.21,4.37,;-3.7,4.77,;-4.09,6.25,;-5.58,6.65,;-1.81,2.88,;-2.72,1.63,;-4.26,1.63,;-5.03,.3,;-1.81,.39,;-.35,.86,;1.12,.39,;2.02,1.63,;1.12,2.88,;-.35,2.4,;1.52,-1.1,;3.01,-1.5,;4.09,-.41,;5.58,-.81,;3.4,-2.99,;2.32,-4.08,;2.71,-5.56,;1.62,-6.65,;.14,-6.25,;.83,-3.68,;.43,-2.19,;-1.06,-1.79,;-2.15,-2.88,)|
Show InChI InChI=1S/C22H31N3O4S/c1-7-9-24(10-8-2)20-21(29-6)23-25-16(14-30-22(20)25)19-17(27-4)11-15(13-26-3)12-18(19)28-5/h11-12,14H,7-10,13H2,1-6H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101704
PNG
(US8530504, 66)
Show SMILES CCN(C1CCCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(.72,5.67,;-.82,5.67,;-1.91,4.58,;-3.39,4.98,;-3.87,6.44,;-5.41,6.44,;-5.88,4.98,;-4.64,4.07,;-1.51,3.09,;-2.41,1.84,;-3.95,1.84,;-4.72,.51,;-1.51,.6,;-.04,1.07,;1.42,.6,;2.33,1.84,;1.42,3.09,;-.04,2.61,;1.82,-.89,;3.31,-1.29,;4.4,-.2,;5.88,-.6,;3.71,-2.78,;2.62,-3.86,;3.02,-5.35,;1.93,-6.44,;.44,-6.04,;1.13,-3.47,;.73,-1.98,;-.76,-1.58,;-1.84,-2.67,)|
Show InChI InChI=1S/C23H31N3O4S/c1-6-25(16-9-7-8-10-16)21-22(30-5)24-26-17(14-31-23(21)26)20-18(28-3)11-15(13-27-2)12-19(20)29-4/h11-12,14,16H,6-10,13H2,1-5H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101684
PNG
(US8530504, 46)
Show SMILES CCCN(C1CCOC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COCC)cc1OC |(-6.53,3.14,;-5.04,2.74,;-3.95,3.83,;-2.46,3.43,;-1.37,4.52,;-1.85,5.99,;-.6,6.89,;.64,5.99,;.17,4.52,;-2.06,1.95,;-2.97,.7,;-4.51,.7,;-5.28,-.63,;-2.06,-.54,;-.6,-.07,;.87,-.54,;1.77,.7,;.87,1.95,;-.6,1.47,;1.27,-2.03,;2.75,-2.43,;3.84,-1.34,;5.33,-1.74,;3.15,-3.92,;2.06,-5.01,;2.46,-6.49,;3.95,-6.89,;5.04,-5.8,;6.53,-6.2,;.57,-4.61,;.18,-3.12,;-1.31,-2.72,;-2.4,-3.81,)|
Show InChI InChI=1S/C24H33N3O5S/c1-6-9-26(17-8-10-32-14-17)22-23(30-5)25-27-18(15-33-24(22)27)21-19(28-3)11-16(13-31-7-2)12-20(21)29-4/h11-12,15,17H,6-10,13-14H2,1-5H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50394527
PNG
(CHEMBL2160161)
Show SMILES CCN(CC)c1ccc(Cl)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.04,5.73,;2.69,4.99,;1.36,5.77,;1.38,7.31,;2.72,8.07,;.02,5.01,;-1.3,5.79,;-2.64,5.03,;-2.66,3.49,;-4,2.74,;-1.33,2.71,;-1.34,1.17,;-.02,.39,;1.32,1.15,;2.65,.37,;1.34,2.69,;.01,3.47,;-.03,-1.15,;-1.37,-1.91,;-2.7,-1.13,;-4.04,-1.88,;-1.39,-3.45,;-.06,-4.23,;-.07,-5.77,;-1.41,-6.53,;-1.43,-8.07,;1.28,-3.47,;1.3,-1.93,;2.64,-1.17,;3.96,-1.95,)|
Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-10-9-18(25)24-17(19)11-15(3)23(26-24)22-20(29-5)12-16(14-28-4)13-21(22)30-6/h9-13H,7-8,14H2,1-6H3
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Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated...


Bioorg Med Chem 20: 6559-78 (2012)


Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101694
PNG
(US8530504, 56)
Show SMILES COCCN(C1CCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-5.78,7.05,;-5.38,5.56,;-3.9,5.16,;-3.5,3.68,;-2.01,3.28,;-.92,4.37,;.57,4.77,;.17,6.25,;-1.32,5.85,;-1.61,1.79,;-2.52,.54,;-4.06,.54,;-4.83,-.79,;-1.61,-.7,;-.15,-.23,;1.32,-.7,;2.22,.54,;1.32,1.79,;-.15,1.31,;1.72,-2.19,;3.2,-2.59,;4.29,-1.5,;5.78,-1.9,;3.6,-4.08,;2.51,-5.16,;2.91,-6.65,;4.4,-7.05,;5.49,-5.96,;1.03,-4.77,;.63,-3.28,;-.86,-2.88,;-1.95,-3.97,)|
Show InChI InChI=1S/C23H31N3O5S/c1-27-10-9-25(16-7-6-8-16)21-22(31-5)24-26-17(14-32-23(21)26)20-18(29-3)11-15(13-28-2)12-19(20)30-4/h11-12,14,16H,6-10,13H2,1-5H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50394520
PNG
(CHEMBL2160170)
Show SMILES CCN(CC)c1ccc(OC)c2nc(c(CC)cc12)-c1c(OC)cc(COC)cc1OC |(4.67,5.76,;3.33,5,;2,5.77,;2.01,7.31,;3.35,8.08,;.67,5.01,;-.66,5.78,;-2,5.02,;-2.01,3.48,;-3.34,2.71,;-4.67,3.49,;-.68,2.7,;-.68,1.16,;.65,.39,;1.98,1.15,;3.32,.38,;4.65,1.15,;1.99,2.69,;.66,3.47,;.64,-1.15,;-.69,-1.92,;-2.03,-1.14,;-3.36,-1.91,;-.7,-3.46,;.63,-4.23,;.62,-5.77,;-.71,-6.54,;-.72,-8.08,;1.97,-3.47,;1.97,-1.93,;3.31,-1.16,;4.64,-1.94,)|
Show InChI InChI=1S/C26H34N2O4/c1-8-18-15-19-20(28(9-2)10-3)11-12-21(30-5)26(19)27-25(18)24-22(31-6)13-17(16-29-4)14-23(24)32-7/h11-15H,8-10,16H2,1-7H3
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Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated...


Bioorg Med Chem 20: 6559-78 (2012)


Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101685
PNG
(US8530504, 47)
Show SMILES CCOCc1cc(OC)c(-c2csc3c(N(CC4CCC4)C4CCOC4)c(OC)nn23)c(OC)c1 |(6.1,-6.47,;4.62,-6.07,;3.53,-7.16,;2.04,-6.76,;1.64,-5.27,;2.73,-4.18,;2.33,-2.7,;3.42,-1.61,;4.91,-2.01,;.84,-2.3,;.44,-.81,;1.35,.44,;.44,1.68,;-1.02,1.21,;-2.48,1.68,;-2.88,3.17,;-4.37,3.57,;-4.77,5.06,;-4,6.39,;-5.33,7.16,;-6.1,5.83,;-1.79,4.26,;-2.27,5.72,;-1.02,6.63,;.22,5.72,;-.25,4.26,;-3.39,.44,;-4.93,.44,;-5.7,-.9,;-2.48,-.81,;-1.02,-.33,;-.25,-3.39,;-1.73,-2.99,;-2.82,-4.08,;.15,-4.87,)|
Show InChI InChI=1S/C26H35N3O5S/c1-5-33-14-18-11-21(30-2)23(22(12-18)31-3)20-16-35-26-24(25(32-4)27-29(20)26)28(13-17-7-6-8-17)19-9-10-34-15-19/h11-12,16-17,19H,5-10,13-15H2,1-4H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101678
PNG
(US8530504, 40)
Show SMILES CCOCc1cc(OC)c(-c2csc3c(N(CCOC)CC4CC4)c(OC)nn23)c(OC)c1 |(1.28,-7.69,;2.37,-6.6,;1.97,-5.11,;3.06,-4.02,;2.66,-2.53,;3.75,-1.45,;3.35,.04,;4.44,1.13,;5.93,.73,;1.86,.44,;1.46,1.93,;2.37,3.17,;1.46,4.42,;,3.94,;-1.46,4.42,;-1.86,5.91,;-.77,7,;.71,6.6,;1.8,7.69,;3.29,7.29,;-3.35,6.31,;-4.44,5.22,;-5.93,4.82,;-4.84,3.73,;-2.37,3.17,;-3.91,3.17,;-4.68,1.84,;-1.46,1.93,;,2.4,;.77,-.65,;-.71,-.25,;-1.8,-1.34,;1.17,-2.14,)|
Show InChI InChI=1S/C24H33N3O5S/c1-6-32-14-17-11-19(29-3)21(20(12-17)30-4)18-15-33-24-22(23(31-5)25-27(18)24)26(9-10-28-2)13-16-7-8-16/h11-12,15-16H,6-10,13-14H2,1-5H3
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US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101665
PNG
(US8530504, 26)
Show SMILES COc1nn2c(csc2c1N(CC1CC1)CC1CCOC1)-c1c(OC)cc(C)cc1OC |(-5.22,-.79,;-4.45,.54,;-2.91,.54,;-2.01,-.7,;-.54,-.23,;.92,-.7,;1.83,.54,;.92,1.79,;-.54,1.31,;-2.01,1.79,;-2.41,3.28,;-3.9,3.68,;-4.29,5.16,;-3.9,6.65,;-5.38,6.25,;-1.32,4.37,;.22,4.37,;1.13,3.12,;2.59,3.6,;2.59,5.14,;1.13,5.61,;1.32,-2.19,;2.81,-2.59,;3.9,-1.5,;5.38,-1.9,;3.2,-4.08,;2.12,-5.16,;2.51,-6.65,;.63,-4.77,;.23,-3.28,;-1.26,-2.88,;-2.35,-3.97,)|
Show InChI InChI=1S/C24H31N3O4S/c1-15-9-19(28-2)21(20(10-15)29-3)18-14-32-24-22(23(30-4)25-27(18)24)26(11-16-5-6-16)12-17-7-8-31-13-17/h9-10,14,16-17H,5-8,11-13H2,1-4H3
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n/an/a 33n/an/an/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101723
PNG
(US8530504, 86)
Show SMILES CCCN(c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC)c1ccccn1 |(-5.58,5.96,;-4.09,5.56,;-3.7,4.08,;-2.21,3.68,;-1.81,2.19,;-2.72,.94,;-4.26,.94,;-5.03,-.39,;-1.81,-.3,;-.35,.17,;1.12,-.3,;2.02,.94,;1.12,2.19,;-.35,1.71,;1.52,-1.79,;3.01,-2.19,;4.09,-1.1,;5.58,-1.5,;3.4,-3.68,;2.32,-4.77,;2.71,-6.25,;1.62,-7.34,;.14,-6.94,;.83,-4.37,;.43,-2.88,;-1.06,-2.48,;-2.15,-3.57,;-1.12,4.77,;-1.52,6.25,;-.43,7.34,;1.06,6.94,;1.46,5.46,;.37,4.37,)|
Show InChI InChI=1S/C24H28N4O4S/c1-6-11-27(20-9-7-8-10-25-20)22-23(32-5)26-28-17(15-33-24(22)28)21-18(30-3)12-16(14-29-2)13-19(21)31-4/h7-10,12-13,15H,6,11,14H2,1-5H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101698
PNG
(US8530504, 60)
Show SMILES COc1nn2c(csc2c1N(CC1CC1)CC1CCOC1)-c1c(OC)cc(cc1OC)C1CC1 |(-4.68,.84,;-3.91,2.18,;-2.37,2.18,;-1.46,.93,;,1.41,;1.46,.93,;2.37,2.18,;1.46,3.42,;,2.95,;-1.46,3.42,;-1.86,4.91,;-3.35,5.31,;-4.44,4.22,;-5.93,3.82,;-4.84,2.73,;-.77,6,;.71,5.6,;1.19,4.14,;2.73,4.14,;3.21,5.6,;1.96,6.51,;1.86,-.56,;3.35,-.95,;4.44,.13,;5.93,-.26,;3.75,-2.44,;2.66,-3.53,;1.17,-3.13,;.77,-1.65,;-.71,-1.25,;-1.8,-2.34,;3.06,-5.02,;2.66,-6.51,;4.15,-6.11,)|
Show InChI InChI=1S/C26H33N3O4S/c1-30-21-10-19(18-6-7-18)11-22(31-2)23(21)20-15-34-26-24(25(32-3)27-29(20)26)28(12-16-4-5-16)13-17-8-9-33-14-17/h10-11,15-18H,4-9,12-14H2,1-3H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101680
PNG
(US8530504, 42)
Show SMILES CCOCc1cc(OC)c(-c2csc3c(N(CCCOC)CC4CC4)c(OC)nn23)c(OC)c1 |(1.28,-8.03,;2.37,-6.94,;1.97,-5.46,;3.06,-4.37,;2.66,-2.88,;3.75,-1.79,;3.35,-.3,;4.44,.79,;5.93,.39,;1.86,.1,;1.46,1.58,;2.37,2.83,;1.46,4.08,;,3.6,;-1.46,4.08,;-1.86,5.56,;-.77,6.65,;.71,6.25,;1.8,7.34,;3.29,6.94,;4.38,8.03,;-3.35,5.96,;-4.44,4.87,;-5.93,4.47,;-4.84,3.38,;-2.37,2.83,;-3.91,2.83,;-4.68,1.5,;-1.46,1.58,;,2.06,;.77,-.99,;-.71,-.59,;-1.8,-1.68,;1.17,-2.48,)|
Show InChI InChI=1S/C25H35N3O5S/c1-6-33-15-18-12-20(30-3)22(21(13-18)31-4)19-16-34-25-23(24(32-5)26-28(19)25)27(10-7-11-29-2)14-17-8-9-17/h12-13,16-17H,6-11,14-15H2,1-5H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101724
PNG
(US8530504, 87)
Show SMILES CCCN(c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC)c1cccnc1 |(-5.58,5.96,;-4.09,5.56,;-3.7,4.08,;-2.21,3.68,;-1.81,2.19,;-2.72,.94,;-4.26,.94,;-5.03,-.39,;-1.81,-.3,;-.35,.17,;1.12,-.3,;2.02,.94,;1.12,2.19,;-.35,1.71,;1.52,-1.79,;.43,-2.88,;-1.06,-2.48,;-2.15,-3.57,;.83,-4.37,;2.32,-4.77,;2.71,-6.25,;1.62,-7.34,;.14,-6.94,;3.4,-3.68,;3.01,-2.19,;4.09,-1.1,;5.58,-1.5,;-1.12,4.77,;-1.52,6.25,;-.43,7.34,;1.06,6.94,;1.46,5.46,;.37,4.37,)|
Show InChI InChI=1S/C24H28N4O4S/c1-6-10-27(17-8-7-9-25-13-17)22-23(32-5)26-28-18(15-33-24(22)28)21-19(30-3)11-16(14-29-2)12-20(21)31-4/h7-9,11-13,15H,6,10,14H2,1-5H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101689
PNG
(US8530504, 51)
Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC(C)OC)CC4CC4)c(OC)nn23)c(OC)c1 |(5.49,-5.96,;4.4,-7.05,;2.91,-6.65,;2.51,-5.16,;3.6,-4.08,;3.2,-2.59,;4.29,-1.5,;5.78,-1.9,;1.72,-2.19,;1.32,-.7,;2.22,.54,;1.32,1.79,;-.15,1.31,;-1.61,1.79,;-2.01,3.28,;-3.5,3.68,;-3.9,5.16,;-2.81,6.25,;-5.38,5.56,;-5.78,7.05,;-.92,4.37,;.57,3.97,;1.66,2.88,;2.05,4.37,;-2.52,.54,;-4.06,.54,;-4.83,-.79,;-1.61,-.7,;-.15,-.23,;.63,-3.28,;-.86,-2.88,;-1.95,-3.97,;1.03,-4.77,)|
Show InChI InChI=1S/C24H33N3O5S/c1-15(29-3)11-26(12-16-7-8-16)22-23(32-6)25-27-18(14-33-24(22)27)21-19(30-4)9-17(13-28-2)10-20(21)31-5/h9-10,14-16H,7-8,11-13H2,1-6H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50394525
PNG
(CHEMBL2160164)
Show SMILES CCN(CC)c1ccc(C#N)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(4.59,5.83,;3.28,5.03,;1.94,5.78,;1.92,7.32,;3.25,8.11,;.61,5,;-.73,5.75,;-2.05,4.97,;-2.04,3.43,;-3.36,2.65,;-4.69,1.86,;-.7,2.67,;-.68,1.13,;.66,.38,;1.99,1.16,;3.33,.41,;1.97,2.7,;.63,3.46,;.68,-1.16,;-.65,-1.95,;-1.99,-1.19,;-3.31,-1.97,;-.63,-3.49,;.71,-4.24,;.73,-5.78,;-.6,-6.57,;-.58,-8.11,;2.04,-3.46,;2.02,-1.92,;3.35,-1.13,;4.69,-1.89,)|
Show InChI InChI=1S/C25H29N3O3/c1-7-28(8-2)20-10-9-18(14-26)25-19(20)11-16(3)24(27-25)23-21(30-5)12-17(15-29-4)13-22(23)31-6/h9-13H,7-8,15H2,1-6H3
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n/an/a 36n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated...


Bioorg Med Chem 20: 6559-78 (2012)


Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM5108
PNG
(US8530504, 76)
Show SMILES CCc1sc2c(NC(=O)C3(O)CC3)c(OC)nn2c1-c1c(OC)cc(COC)cc1OC |(4.71,2.99,;3.94,1.65,;2.4,1.65,;1.49,2.9,;.03,2.42,;-1.44,2.9,;-1.91,4.36,;-.88,5.51,;-1.36,6.97,;.62,5.19,;.23,3.7,;1.96,5.96,;1.71,4.1,;-2.34,1.65,;-3.88,1.65,;-4.65,.32,;-1.44,.41,;.03,.88,;1.49,.41,;1.89,-1.08,;.8,-2.17,;-.69,-1.77,;-1.77,-2.86,;1.2,-3.66,;2.69,-4.05,;3.09,-5.54,;2,-6.63,;2.4,-8.12,;3.78,-2.97,;3.38,-1.48,;4.47,-.39,;5.96,-.79,)|
Show InChI InChI=1S/C22H27N3O6S/c1-6-15-18(16-13(29-3)9-12(11-28-2)10-14(16)30-4)25-20(32-15)17(19(24-25)31-5)23-21(26)22(27)7-8-22/h9-10,27H,6-8,11H2,1-5H3,(H,23,26)
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101643
PNG
(US8530504, 2)
Show SMILES CCCN(CCC)c1c(C)nn2c(c(SC)sc12)-c1c(OC)cc(COC)cc1OC |(2.99,6.26,;1.66,5.49,;.33,6.26,;-1.01,5.49,;-2.34,6.26,;-3.68,5.49,;-5.01,6.26,;-1.01,3.95,;-2.25,3.04,;-3.59,3.81,;-1.78,1.58,;-.24,1.58,;1.01,.67,;2.25,1.58,;3.59,.81,;4.92,1.58,;1.78,3.04,;.24,3.04,;1.01,-.87,;2.34,-1.64,;3.68,-.87,;5.01,-1.64,;2.34,-3.18,;1.01,-3.95,;1.01,-5.49,;2.34,-6.26,;3.68,-5.49,;-.33,-3.18,;-.33,-1.64,;-1.66,-.87,;-2.99,-1.64,)|
Show InChI InChI=1S/C23H33N3O3S2/c1-8-10-25(11-9-2)20-15(3)24-26-21(23(30-7)31-22(20)26)19-17(28-5)12-16(14-27-4)13-18(19)29-6/h12-13H,8-11,14H2,1-7H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101699
PNG
(US8530504, 61)
Show SMILES CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(cc1OC)C1CC1 |(-5.93,3.58,;-4.44,3.19,;-3.35,4.27,;-1.86,3.88,;-.77,4.96,;.71,4.57,;1.8,5.66,;1.4,7.14,;-.08,7.54,;-1.17,6.45,;-1.46,2.39,;-2.37,1.14,;-3.91,1.14,;-4.68,-.19,;-1.46,-.1,;,.37,;1.46,-.1,;2.37,1.14,;1.46,2.39,;,1.91,;1.86,-1.59,;3.35,-1.99,;4.44,-.9,;5.93,-1.3,;3.75,-3.48,;2.66,-4.57,;1.17,-4.17,;.77,-2.68,;-.71,-2.28,;-1.8,-3.37,;3.06,-6.05,;2.66,-7.54,;4.15,-7.14,)|
Show InChI InChI=1S/C25H33N3O4S/c1-5-10-27(18-8-11-32-12-9-18)23-24(31-4)26-28-19(15-33-25(23)28)22-20(29-2)13-17(16-6-7-16)14-21(22)30-3/h13-16,18H,5-12H2,1-4H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101666
PNG
(US8530504, 28)
Show SMILES CCCCN(CCOC)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(3.14,4.66,;1.66,5.06,;.57,3.97,;-.92,4.37,;-2.01,3.28,;-3.5,3.68,;-3.9,5.16,;-5.38,5.56,;-5.78,7.05,;-1.61,1.79,;-2.52,.54,;-4.06,.54,;-4.83,-.79,;-1.61,-.7,;-.15,-.23,;1.32,-.7,;2.22,.54,;1.32,1.79,;-.15,1.31,;1.72,-2.19,;3.2,-2.59,;4.29,-1.5,;5.78,-1.9,;3.6,-4.08,;2.51,-5.16,;2.91,-6.65,;4.4,-7.05,;5.49,-5.96,;1.03,-4.77,;.63,-3.28,;-.86,-2.88,;-1.95,-3.97,)|
Show InChI InChI=1S/C23H33N3O5S/c1-7-8-9-25(10-11-27-2)21-22(31-6)24-26-17(15-32-23(21)26)20-18(29-4)12-16(14-28-3)13-19(20)30-5/h12-13,15H,7-11,14H2,1-6H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50398579
PNG
(CHEMBL2179182)
Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCCO4)c(OC)nn23)c(OC)c1 |(15.79,-14.95,;15.04,-13.6,;13.5,-13.58,;12.76,-12.23,;11.22,-12.2,;10.47,-10.86,;8.93,-10.83,;8.13,-12.15,;11.26,-9.54,;10.52,-8.19,;11.39,-6.93,;10.46,-5.7,;9.01,-6.22,;7.53,-5.77,;6.99,-4.32,;5.47,-4.08,;4.5,-5.27,;3.05,-5.81,;4.25,-6.79,;7.74,-2.98,;6.8,-1.76,;7.22,-.29,;5.94,.59,;4.73,-.37,;5.25,-1.82,;6.65,-7.03,;5.11,-7.06,;4.37,-8.41,;7.58,-8.26,;9.04,-7.75,;12.8,-9.56,;13.59,-8.25,;15.13,-8.27,;13.55,-10.92,)|
Show InChI InChI=1S/C25H33N3O5S/c1-29-14-17-10-20(30-2)22(21(11-17)31-3)19-15-34-25-23(24(32-4)26-28(19)25)27(12-16-7-8-16)13-18-6-5-9-33-18/h10-11,15-16,18H,5-9,12-14H2,1-4H3
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n/an/a 43n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 55: 8450-63 (2012)


Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101664
PNG
(US8530504, 25)
Show SMILES COc1nn2c(csc2c1N(CC1CC1)C1CCOCC1)-c1c(OC)cc(C)cc1OC |(-5.22,-.94,;-4.45,.4,;-2.91,.4,;-2.01,-.85,;-.54,-.37,;.92,-.85,;1.83,.4,;.92,1.64,;-.54,1.17,;-2.01,1.64,;-2.41,3.13,;-3.9,3.53,;-4.29,5.02,;-3.9,6.51,;-5.38,6.11,;-1.32,4.22,;.17,3.82,;1.26,4.91,;.86,6.4,;-.63,6.8,;-1.72,5.71,;1.32,-2.33,;.23,-3.42,;-1.26,-3.03,;-2.35,-4.11,;.63,-4.91,;2.12,-5.31,;2.51,-6.8,;3.2,-4.22,;2.81,-2.73,;3.9,-1.64,;5.38,-2.04,)|
Show InChI InChI=1S/C24H31N3O4S/c1-15-11-19(28-2)21(20(12-15)29-3)18-14-32-24-22(23(30-4)25-27(18)24)26(13-16-5-6-16)17-7-9-31-10-8-17/h11-12,14,16-17H,5-10,13H2,1-4H3
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n/an/a 43n/an/an/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50394514
PNG
(CHEMBL2160159)
Show SMILES CCN(CC)c1ccc(OC)c2nc(c(C)cc12)-c1c(OC)cc(C)cc1OC |(3.3,6.94,;1.97,6.16,;1.98,4.62,;3.32,3.86,;4.55,4.53,;.65,3.84,;-.69,4.61,;-2.02,3.83,;-2.01,2.29,;-3.34,1.52,;-4.68,2.28,;-.67,1.53,;-.67,-.01,;.67,-.78,;2,,;3.34,-.76,;1.99,1.54,;.66,2.3,;.67,-2.32,;-.66,-3.09,;-1.99,-2.33,;-3.32,-3.1,;-.65,-4.63,;.69,-5.4,;.69,-6.94,;2.02,-4.62,;2.01,-3.08,;3.34,-2.3,;4.68,-3.07,)|
Show InChI InChI=1S/C24H30N2O3/c1-8-26(9-2)18-10-11-19(27-5)24-17(18)14-16(4)23(25-24)22-20(28-6)12-15(3)13-21(22)29-7/h10-14H,8-9H2,1-7H3
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n/an/a 43n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated...


Bioorg Med Chem 20: 6559-78 (2012)


Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101662
PNG
(US8530504, 23)
Show SMILES CCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOC4)c(OC)nn23)c(OC)c1 |(1.97,-6.31,;3.06,-5.22,;2.66,-3.73,;1.17,-3.33,;.77,-1.84,;-.71,-1.45,;-1.8,-2.53,;1.86,-.76,;1.46,.73,;2.37,1.98,;1.46,3.22,;,2.75,;-1.46,3.22,;-1.86,4.71,;-3.35,5.11,;-4.44,4.02,;-5.93,3.62,;-4.84,2.53,;-.77,5.8,;.71,5.4,;1.19,3.94,;2.73,3.94,;3.21,5.4,;1.96,6.31,;-2.37,1.98,;-3.91,1.98,;-4.68,.64,;-1.46,.73,;,1.21,;3.35,-1.15,;4.44,-.07,;5.93,-.46,;3.75,-2.64,)|
Show InChI InChI=1S/C25H33N3O4S/c1-5-16-10-20(29-2)22(21(11-16)30-3)19-15-33-25-23(24(31-4)26-28(19)25)27(12-17-6-7-17)13-18-8-9-32-14-18/h10-11,15,17-18H,5-9,12-14H2,1-4H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50389539
PNG
(CHEMBL2063382)
Show SMILES CCN(CC)c1ccc(C)c2nc(c(Cl)cc12)-c1c(OC)cc(COC)cc1OC |(62.06,-27.68,;63.4,-28.45,;63.41,-29.99,;64.74,-30.75,;64.75,-32.29,;62.08,-30.76,;60.74,-30,;59.41,-30.77,;59.41,-32.31,;58.08,-33.08,;60.74,-33.08,;60.74,-34.62,;62.07,-35.39,;63.41,-34.62,;64.75,-35.38,;63.41,-33.08,;62.08,-32.31,;62.08,-36.93,;60.74,-37.7,;59.41,-36.93,;58.07,-37.7,;60.74,-39.24,;62.07,-40.01,;62.08,-41.55,;60.74,-42.32,;59.41,-41.55,;63.41,-39.23,;63.41,-37.69,;64.74,-36.92,;66.07,-37.69,)|
Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-10-9-15(3)23-17(19)13-18(25)24(26-23)22-20(29-5)11-16(14-28-4)12-21(22)30-6/h9-13H,7-8,14H2,1-6H3
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n/an/a 45n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3...


Bioorg Med Chem Lett 22: 5372-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50389539
PNG
(CHEMBL2063382)
Show SMILES CCN(CC)c1ccc(C)c2nc(c(Cl)cc12)-c1c(OC)cc(COC)cc1OC |(62.06,-27.68,;63.4,-28.45,;63.41,-29.99,;64.74,-30.75,;64.75,-32.29,;62.08,-30.76,;60.74,-30,;59.41,-30.77,;59.41,-32.31,;58.08,-33.08,;60.74,-33.08,;60.74,-34.62,;62.07,-35.39,;63.41,-34.62,;64.75,-35.38,;63.41,-33.08,;62.08,-32.31,;62.08,-36.93,;60.74,-37.7,;59.41,-36.93,;58.07,-37.7,;60.74,-39.24,;62.07,-40.01,;62.08,-41.55,;60.74,-42.32,;59.41,-41.55,;63.41,-39.23,;63.41,-37.69,;64.74,-36.92,;66.07,-37.69,)|
Show InChI InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-10-9-15(3)23-17(19)13-18(25)24(26-23)22-20(29-5)11-16(14-28-4)12-21(22)30-6/h9-13H,7-8,14H2,1-6H3
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n/an/a 45n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated...


Bioorg Med Chem 20: 6559-78 (2012)


Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101667
PNG
(US8530504, 29)
Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CCC4)C4CCOC4)c(OC)nn23)c(OC)c1 |(5.59,-5.01,;4.5,-6.1,;3.02,-5.7,;2.62,-4.21,;1.13,-3.81,;.73,-2.32,;-.76,-1.92,;-1.84,-3.01,;1.82,-1.23,;1.42,.25,;2.33,1.5,;1.42,2.74,;-.04,2.27,;-1.51,2.74,;-1.91,4.23,;-.82,5.32,;.67,4.92,;1.44,3.59,;2.77,4.36,;2,5.69,;-3.39,4.63,;-4.64,3.73,;-5.88,4.63,;-5.41,6.1,;-3.87,6.1,;-2.41,1.5,;-3.95,1.5,;-4.72,.17,;-1.51,.25,;-.04,.73,;3.31,-1.63,;4.4,-.54,;5.88,-.94,;3.71,-3.12,)|
Show InChI InChI=1S/C25H33N3O5S/c1-29-13-17-10-20(30-2)22(21(11-17)31-3)19-15-34-25-23(24(32-4)26-28(19)25)27(12-16-6-5-7-16)18-8-9-33-14-18/h10-11,15-16,18H,5-9,12-14H2,1-4H3
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n/an/a 45n/an/an/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101681
PNG
(US8530504, 43)
Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC(C)C)C4CCOC4)c(OC)nn23)c(OC)c1 |(.14,-6.66,;1.62,-7.06,;2.71,-5.97,;2.32,-4.49,;3.4,-3.4,;3.01,-1.91,;4.09,-.82,;5.58,-1.22,;1.52,-1.51,;1.12,-.02,;2.02,1.22,;1.12,2.47,;-.35,1.99,;-1.81,2.47,;-2.21,3.96,;-3.7,4.36,;-4.09,5.84,;-3.01,6.93,;-5.58,6.24,;-1.12,5.05,;.35,4.57,;1.25,5.82,;.35,7.06,;-1.12,6.59,;-2.72,1.22,;-4.26,1.22,;-5.03,-.11,;-1.81,-.02,;-.35,.45,;.43,-2.6,;-1.06,-2.2,;-2.15,-3.29,;.83,-4.09,)|
Show InChI InChI=1S/C24H33N3O5S/c1-15(2)11-26(17-7-8-32-13-17)22-23(31-6)25-27-18(14-33-24(22)27)21-19(29-4)9-16(12-28-3)10-20(21)30-5/h9-10,14-15,17H,7-8,11-13H2,1-6H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101727
PNG
(US8530504, 93)
Show SMILES CCCN(CC1C2COCC12)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-5.78,6.11,;-4.29,5.71,;-3.9,4.22,;-2.41,3.82,;-1.32,4.91,;.22,4.91,;1.55,4.14,;3.02,3.67,;3.92,4.91,;3.02,6.16,;1.55,5.68,;-2.01,2.33,;-2.91,1.09,;-4.45,1.09,;-5.22,-.24,;-2.01,-.16,;-.54,.32,;.92,-.16,;1.83,1.09,;.92,2.33,;-.54,1.86,;1.32,-1.64,;2.81,-2.04,;3.9,-.95,;5.38,-1.35,;3.2,-3.53,;2.12,-4.62,;2.51,-6.11,;1.43,-7.2,;-.06,-6.8,;.63,-4.22,;.23,-2.73,;-1.26,-2.33,;-2.35,-3.42,)|
Show InChI InChI=1S/C25H33N3O5S/c1-6-7-27(10-16-17-12-33-13-18(16)17)23-24(32-5)26-28-19(14-34-25(23)28)22-20(30-3)8-15(11-29-2)9-21(22)31-4/h8-9,14,16-18H,6-7,10-13H2,1-5H3
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n/an/a 45n/an/an/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM101729
PNG
(US8530504, 197 | US8530504, 94 | US8530504, 96)
Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4C5COCC45)c(OC)nn23)c(OC)c1 |(-.06,-6.8,;1.43,-7.2,;2.51,-6.11,;2.12,-4.62,;3.2,-3.53,;2.81,-2.04,;3.9,-.95,;5.38,-1.35,;1.32,-1.64,;.92,-.16,;1.83,1.09,;.92,2.33,;-.54,1.86,;-2.01,2.33,;-2.41,3.82,;-3.9,4.22,;-4.29,5.71,;-3.9,7.2,;-5.38,6.8,;-1.32,4.91,;.22,4.91,;1.55,4.14,;3.02,3.67,;3.92,4.91,;3.02,6.16,;1.55,5.68,;-2.91,1.09,;-4.45,1.09,;-5.22,-.24,;-2.01,-.16,;-.54,.32,;.23,-2.73,;-1.26,-2.33,;-2.35,-3.42,;.63,-4.22,)|
Show InChI InChI=1S/C26H33N3O5S/c1-30-11-16-7-21(31-2)23(22(8-16)32-3)20-14-35-26-24(25(33-4)27-29(20)26)28(9-15-5-6-15)10-17-18-12-34-13-19(17)18/h7-8,14-15,17-19H,5-6,9-13H2,1-4H3
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50389540
PNG
(CHEMBL2063373)
Show SMILES COCc1cc(OC)c(c(OC)c1)-c1nc2c(C)ccc(N(CC3CC3)CC3CC3)c2cc1C |(19.14,-25.33,;20.48,-26.1,;21.81,-25.33,;21.81,-23.79,;20.47,-23.02,;20.47,-21.48,;19.14,-20.71,;17.81,-21.48,;21.81,-20.71,;23.14,-21.48,;24.47,-20.7,;25.81,-21.47,;23.15,-23.01,;21.81,-19.18,;20.47,-18.4,;20.48,-16.86,;19.14,-16.1,;17.81,-16.87,;19.15,-14.55,;20.48,-13.78,;21.81,-14.55,;23.14,-13.77,;24.48,-14.54,;24.48,-16.08,;23.73,-17.41,;25.27,-17.4,;23.14,-12.23,;21.8,-11.47,;21.03,-10.14,;20.26,-11.48,;21.82,-16.1,;23.15,-16.86,;23.15,-18.4,;24.48,-19.17,)|
Show InChI InChI=1S/C29H36N2O3/c1-18-6-11-24(31(15-20-7-8-20)16-21-9-10-21)23-12-19(2)29(30-28(18)23)27-25(33-4)13-22(17-32-3)14-26(27)34-5/h6,11-14,20-21H,7-10,15-17H2,1-5H3
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n/an/a 46n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 3...


Bioorg Med Chem Lett 22: 5372-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50398566
PNG
(CHEMBL2179196)
Show SMILES CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(cc1OC)C#N |(24.95,-40.75,;25.72,-42.08,;27.26,-42.07,;28.03,-40.74,;29.57,-40.73,;30.29,-39.37,;31.83,-39.32,;32.55,-37.97,;31.74,-36.66,;30.19,-36.71,;29.46,-38.07,;30.11,-42.18,;29.23,-43.44,;27.69,-43.47,;26.95,-44.82,;30.16,-44.66,;31.62,-44.16,;33.1,-44.6,;33.97,-43.34,;33.04,-42.11,;31.59,-42.62,;33.84,-45.95,;33.05,-47.27,;31.51,-47.24,;30.72,-48.57,;33.8,-48.62,;35.34,-48.64,;36.13,-47.33,;35.38,-45.97,;36.17,-44.66,;37.71,-44.68,;36.09,-49.99,;36.84,-51.33,)|
Show InChI InChI=1S/C24H30N4O4S/c1-5-6-9-27(17-7-10-32-11-8-17)22-23(31-4)26-28-18(15-33-24(22)28)21-19(29-2)12-16(14-25)13-20(21)30-3/h12-13,15,17H,5-11H2,1-4H3
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n/an/a 46n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 55: 8450-63 (2012)


Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50398587
PNG
(CHEMBL2179197 | US8530504, 4)
Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOCC4)c(C)nn23)c(OC)c1 |(17.24,-37.02,;16.5,-35.68,;14.96,-35.65,;14.21,-34.3,;12.67,-34.28,;11.93,-32.93,;10.39,-32.91,;9.59,-34.23,;12.71,-31.61,;11.97,-30.27,;12.84,-29.01,;11.92,-27.78,;10.46,-28.29,;8.99,-27.85,;8.44,-26.4,;6.92,-26.15,;5.95,-27.34,;4.51,-27.89,;5.71,-28.86,;9.2,-25.06,;8.41,-23.74,;9.16,-22.4,;8.37,-21.07,;6.83,-21.09,;6.08,-22.44,;6.87,-23.76,;8.11,-29.11,;6.57,-29.14,;9.04,-30.33,;10.5,-29.82,;14.25,-31.64,;15.05,-30.32,;16.58,-30.34,;15,-32.99,)|
Show InChI InChI=1S/C26H35N3O4S/c1-17-25(28(13-18-5-6-18)14-19-7-9-33-10-8-19)26-29(27-17)21(16-34-26)24-22(31-3)11-20(15-30-2)12-23(24)32-4/h11-12,16,18-19H,5-10,13-15H2,1-4H3
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n/an/a 46n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 55: 8450-63 (2012)


Article DOI: 10.1021/jm300864p
BindingDB Entry DOI: 10.7270/Q2KD202P
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50398587
PNG
(CHEMBL2179197 | US8530504, 4)
Show SMILES COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOCC4)c(C)nn23)c(OC)c1 |(17.24,-37.02,;16.5,-35.68,;14.96,-35.65,;14.21,-34.3,;12.67,-34.28,;11.93,-32.93,;10.39,-32.91,;9.59,-34.23,;12.71,-31.61,;11.97,-30.27,;12.84,-29.01,;11.92,-27.78,;10.46,-28.29,;8.99,-27.85,;8.44,-26.4,;6.92,-26.15,;5.95,-27.34,;4.51,-27.89,;5.71,-28.86,;9.2,-25.06,;8.41,-23.74,;9.16,-22.4,;8.37,-21.07,;6.83,-21.09,;6.08,-22.44,;6.87,-23.76,;8.11,-29.11,;6.57,-29.14,;9.04,-30.33,;10.5,-29.82,;14.25,-31.64,;15.05,-30.32,;16.58,-30.34,;15,-32.99,)|
Show InChI InChI=1S/C26H35N3O4S/c1-17-25(28(13-18-5-6-18)14-19-7-9-33-10-8-19)26-29(27-17)21(16-34-26)24-22(31-3)11-20(15-30-2)12-23(24)32-4/h11-12,16,18-19H,5-10,13-15H2,1-4H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 46n/an/an/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.


US Patent US8530504 (2013)


BindingDB Entry DOI: 10.7270/Q29885NS
More data for this
Ligand-Target Pair
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