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Compile Data Set for Download or QSAR

Found 752 hits with Last Name = 'wilcoxen' 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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132965
PNG
(CHEMBL115389 | Cyclopropylmethyl-[8-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H24Cl2N2/c1-3-11-27(14-16-7-8-16)22-12-15(2)26-23-19(5-4-6-20(22)23)18-10-9-17(24)13-21(18)25/h4-6,9-10,12-13,16H,3,7-8,11,14H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132898
PNG
(CHEMBL115142 | Dibutyl-[3-(2,4-dichloro-phenyl)-1,...)
Show SMILES CCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H28Cl2N4/c1-5-7-11-28(12-8-6-2)19-13-15(3)25-21-20(26-27(4)22(19)21)17-10-9-16(23)14-18(17)24/h9-10,13-14H,5-8,11-12H2,1-4H3
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0.620n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132898
PNG
(CHEMBL115142 | Dibutyl-[3-(2,4-dichloro-phenyl)-1,...)
Show SMILES CCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H28Cl2N4/c1-5-7-11-28(12-8-6-2)19-13-15(3)25-21-20(26-27(4)22(19)21)17-10-9-16(23)14-18(17)24/h9-10,13-14H,5-8,11-12H2,1-4H3
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0.620n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human corticotropin releasing factor receptor 1 expressed in HEK273 cells


Bioorg Med Chem Lett 13: 3367-70 (2003)


BindingDB Entry DOI: 10.7270/Q2542N05
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50423641
PNG
(A-198401 | CHEMBL303274)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C47H69Cl2N3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-32(48)33(49)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42+,46+,47-/m1/s1
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0.631n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to inhibit [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the rat Gonadotropin-releasing hormone receptor was evaluate...


Bioorg Med Chem Lett 12: 2179-83 (2002)


BindingDB Entry DOI: 10.7270/Q28S4P8D
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50148897
PNG
(CHEMBL333735 | Cyclopropylmethyl-[3-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)c1cc(SC)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(14.51,-6.15,;14.47,-7.69,;15.77,-8.49,;15.74,-10.02,;17.05,-10.83,;17.01,-12.37,;18.31,-13.17,;15.65,-13.1,;14.39,-10.76,;14.34,-12.3,;12.97,-13.05,;12.93,-14.57,;11.58,-15.31,;11.66,-12.23,;11.71,-10.68,;10.6,-9.61,;11.28,-8.23,;10.55,-6.87,;12.81,-8.44,;13.07,-9.96,;9.1,-9.88,;8.57,-11.33,;7.06,-11.6,;6.07,-10.42,;4.57,-10.7,;6.59,-8.98,;8.1,-8.7,;8.5,-7.21,)|
Show InChI InChI=1S/C21H24Cl2N4S/c1-4-9-26(12-14-5-6-14)19-11-18(28-3)24-21-20(13(2)25-27(19)21)16-8-7-15(22)10-17(16)23/h7-8,10-11,14H,4-6,9,12H2,1-3H3
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0.730n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the cloned human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 14: 3669-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.019
BindingDB Entry DOI: 10.7270/Q2T72GWP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50149670
PNG
(CHEMBL361782 | [3-(3-Chloro-5-trifluoromethyl-pyri...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(3.73,6.08,;4.32,4.66,;3.39,3.42,;3.97,2,;5.49,1.81,;6.09,.37,;7.31,-.56,;5.89,-1.15,;3.04,.79,;3.62,-.64,;2.68,-1.85,;3.27,-3.27,;1.15,-1.64,;.59,-.22,;-.86,.27,;-.83,1.81,;-2.05,2.75,;.66,2.24,;1.52,.97,;-2.26,-.38,;-2.26,-1.94,;-3.59,-2.71,;-4.92,-1.94,;-4.92,-.4,;-3.59,.37,;-3.61,1.93,;-6.27,-2.71,;-7.48,-3.41,;-7.77,-2.13,;-6.53,-4.3,)|
Show InChI InChI=1S/C21H23ClF3N5/c1-4-7-29(11-14-5-6-14)17-8-12(2)27-20-18(13(3)28-30(17)20)19-16(22)9-15(10-26-19)21(23,24)25/h8-10,14H,4-7,11H2,1-3H3
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0.800n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human CRF1 receptor


Bioorg Med Chem Lett 14: 3943-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.056
BindingDB Entry DOI: 10.7270/Q2KK9B7F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132951
PNG
(8-(2,4-dichlorophenyl)-2-methyl-N,N-dipropylquinol...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)21-13-15(3)25-22-18(7-6-8-19(21)22)17-10-9-16(23)14-20(17)24/h6-10,13-14H,4-5,11-12H2,1-3H3
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0.900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human CRF1 receptor expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132950
PNG
(Butyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyr...)
Show SMILES CCCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H30Cl2N4/c1-5-7-9-13-29(12-8-6-2)20-14-16(3)26-22-21(27-28(4)23(20)22)18-11-10-17(24)15-19(18)25/h10-11,14-15H,5-9,12-13H2,1-4H3
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0.900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132924
PNG
(CHEMBL116171 | Cyclopropylmethyl-[3-(2,4-dichloro-...)
Show SMILES CCCCCCN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H30Cl2N4/c1-4-5-6-7-12-30(15-17-8-9-17)21-13-16(2)27-23-22(28-29(3)24(21)23)19-11-10-18(25)14-20(19)26/h10-11,13-14,17H,4-9,12,15H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50109235
PNG
(7-(4-Butyrylamino-phenyl)-1-(2-fluoro-benzyl)-6-{[...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)NCCCc3ccccc3)c(=O)n2c1CN(C)CCc1ccccn1
Show InChI InChI=1S/C43H45FN6O3/c1-3-12-40(51)47-35-21-19-32(20-22-35)36-27-41-49(28-33-16-7-8-18-38(33)44)29-37(42(52)46-25-11-15-31-13-5-4-6-14-31)43(53)50(41)39(36)30-48(2)26-23-34-17-9-10-24-45-34/h4-10,13-14,16-22,24,27,29H,3,11-12,15,23,25-26,28,30H2,1-2H3,(H,46,52)(H,47,51)
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human gonadotropin-releasing hormone (hGnRH) receptor expressed in HEK293 cells using des-Gly10[125I-Tyr,5DLeu,6NMeLeu,7Pro9-NEt]...


Bioorg Med Chem Lett 12: 403-6 (2002)


BindingDB Entry DOI: 10.7270/Q2542MXV
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50149663
PNG
(CHEMBL183068 | Dibutyl-[3-(3-chloro-5-trifluoromet...)
Show SMILES CCCCN(CCCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(2.04,6.07,;3.58,5.86,;4.17,4.43,;3.23,3.22,;3.82,1.79,;5.35,1.58,;5.94,.16,;7.46,-.05,;8.07,-1.48,;2.88,.58,;3.47,-.85,;2.53,-2.06,;3.12,-3.49,;1.01,-1.88,;.43,-.45,;-1.02,.06,;-.97,1.6,;-2.2,2.54,;.5,2.02,;1.36,.76,;-2.42,-.62,;-2.42,-2.16,;-3.75,-2.93,;-5.09,-2.16,;-5.09,-.62,;-3.75,.16,;-3.76,1.7,;-6.42,-2.93,;-7.63,-3.63,;-7.94,-2.37,;-6.68,-4.52,)|
Show InChI InChI=1S/C22H27ClF3N5/c1-5-7-9-30(10-8-6-2)18-11-14(3)28-21-19(15(4)29-31(18)21)20-17(23)12-16(13-27-20)22(24,25)26/h11-13H,5-10H2,1-4H3
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human CRF1 receptor


Bioorg Med Chem Lett 14: 3943-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.056
BindingDB Entry DOI: 10.7270/Q2KK9B7F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50087707
PNG
(CHEMBL295563 | [3-(2,4-Dimethoxy-phenyl)-2,5-dimet...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(17.03,-6.41,;17,-7.95,;15.62,-8.69,;15.6,-10.23,;16.9,-11.03,;16.86,-12.57,;18.17,-13.39,;14.25,-10.96,;14.19,-12.5,;12.82,-13.25,;12.78,-14.79,;11.51,-12.43,;11.56,-10.89,;10.45,-9.82,;11.12,-8.43,;10.4,-7.06,;12.65,-8.64,;12.92,-10.16,;8.95,-10.09,;8.42,-11.54,;6.9,-11.8,;5.91,-10.62,;4.4,-10.89,;3.89,-12.34,;6.44,-9.18,;7.95,-8.91,;8.48,-7.46,;7.48,-6.27,)|
Show InChI InChI=1S/C22H30N4O2/c1-7-11-25(12-8-2)20-13-15(3)23-22-21(16(4)24-26(20)22)18-10-9-17(27-5)14-19(18)28-6/h9-10,13-14H,7-8,11-12H2,1-6H3
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the cloned human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 14: 3669-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.019
BindingDB Entry DOI: 10.7270/Q2T72GWP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132913
PNG
(CHEMBL323886 | [3-(2,4-Dichloro-phenyl)-1,5-dimeth...)
Show SMILES CCCCCN(CCC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H28Cl2N4/c1-5-7-8-12-28(11-6-2)19-13-15(3)25-21-20(26-27(4)22(19)21)17-10-9-16(23)14-18(17)24/h9-10,13-14H,5-8,11-12H2,1-4H3
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1.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50149671
PNG
(CHEMBL362697 | [3-(3-Chloro-5-trifluoromethyl-pyri...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(3.94,6,;4.52,4.6,;3.59,3.37,;4.17,1.96,;5.71,1.73,;6.3,.3,;7.82,.11,;3.23,.72,;3.82,-.7,;2.88,-1.92,;3.47,-3.34,;1.36,-1.71,;.78,-.29,;-.67,.21,;-.63,1.77,;-1.85,2.7,;.85,2.19,;1.71,.91,;-2.07,-.47,;-2.07,-2.01,;-3.41,-2.78,;-4.74,-2.01,;-4.74,-.47,;-3.41,.3,;-3.41,1.85,;-6.08,-2.78,;-7.3,-3.47,;-7.59,-2.21,;-6.34,-4.37,)|
Show InChI InChI=1S/C20H23ClF3N5/c1-5-7-28(8-6-2)16-9-12(3)26-19-17(13(4)27-29(16)19)18-15(21)10-14(11-25-18)20(22,23)24/h9-11H,5-8H2,1-4H3
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1.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human CRF1 receptor


Bioorg Med Chem Lett 14: 3943-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.056
BindingDB Entry DOI: 10.7270/Q2KK9B7F
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50109234
PNG
(7-(4-Butyrylamino-phenyl)-1-(2-fluoro-benzyl)-6-{[...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)OCC)c(=O)n2c1CN(C)CCc1ccccn1
Show InChI InChI=1S/C36H38FN5O4/c1-4-10-33(43)39-28-16-14-25(15-17-28)29-21-34-41(22-26-11-6-7-13-31(26)37)23-30(36(45)46-5-2)35(44)42(34)32(29)24-40(3)20-18-27-12-8-9-19-38-27/h6-9,11-17,19,21,23H,4-5,10,18,20,22,24H2,1-3H3,(H,39,43)
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1.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human gonadotropin-releasing hormone (hGnRH) receptor expressed in HEK293 cells using des-Gly10[125I-Tyr,5DLeu,6NMeLeu,7Pro9-NEt]...


Bioorg Med Chem Lett 12: 403-6 (2002)


BindingDB Entry DOI: 10.7270/Q2542MXV
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50149654
PNG
(Butyl-[3-(3-chloro-5-trifluoromethyl-pyridin-2-yl)...)
Show SMILES CCCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(8.11,-1.27,;7.55,.16,;6.01,.37,;5.42,1.79,;3.89,1.99,;3.3,3.4,;4.24,4.64,;3.65,6.07,;2.95,.76,;3.54,-.66,;2.6,-1.88,;3.18,-3.3,;1.07,-1.67,;.5,-.24,;-.95,.25,;-.93,1.8,;-2.14,2.73,;.57,2.23,;1.45,.95,;-2.35,-.4,;-2.35,-1.97,;-3.68,-2.74,;-5.01,-1.97,;-5.01,-.43,;-3.68,.37,;-3.71,1.91,;-6.35,-2.74,;-7.58,-3.43,;-7.86,-2.16,;-6.63,-4.33,)|
Show InChI InChI=1S/C21H25ClF3N5/c1-5-7-9-29(8-6-2)17-10-13(3)27-20-18(14(4)28-30(17)20)19-16(22)11-15(12-26-19)21(23,24)25/h10-12H,5-9H2,1-4H3
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1.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human CRF1 receptor


Bioorg Med Chem Lett 14: 3943-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.056
BindingDB Entry DOI: 10.7270/Q2KK9B7F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50148903
PNG
(CHEMBL413756 | [3-(3,4-Dimethoxy-phenyl)-2,5-dimet...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H30N4O2/c1-7-11-25(12-8-2)20-13-15(3)23-22-21(16(4)24-26(20)22)17-9-10-18(27-5)19(14-17)28-6/h9-10,13-14H,7-8,11-12H2,1-6H3
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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the cloned human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 14: 3669-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.019
BindingDB Entry DOI: 10.7270/Q2T72GWP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152188
PNG
((4-Chloro-benzyl)-[3-(6-dimethylamino-4-methyl-pyr...)
Show SMILES CCN(Cc1ccc(Cl)cc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.7,1.45,;4.67,.3,;3.17,.61,;2.68,2.07,;3.69,3.22,;3.2,4.68,;4.21,5.83,;5.75,5.52,;6.77,6.67,;6.23,4.05,;5.21,2.91,;2.15,-.54,;2.61,-1.99,;1.59,-3.15,;2.08,-4.6,;.1,-2.83,;-.39,-1.38,;-1.8,-.75,;-1.65,.79,;-2.8,1.8,;-.14,1.11,;.63,-.23,;-3.13,-1.52,;-3.13,-3.08,;-4.45,-3.85,;-5.79,-3.08,;-5.79,-1.54,;-4.45,-.75,;-4.46,.79,;-7.13,-3.85,;-8.46,-3.08,;-7.13,-5.39,)|
Show InChI InChI=1S/C25H29ClN6/c1-7-31(15-19-8-10-20(26)11-9-19)23-13-17(3)28-25-24(18(4)29-32(23)25)21-14-27-22(30(5)6)12-16(21)2/h8-14H,7,15H2,1-6H3
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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132927
PNG
(Butyl-cyclopropylmethyl-[3-(2,4-dichloro-phenyl)-1...)
Show SMILES CCCCN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H26Cl2N4/c1-4-5-10-28(13-15-6-7-15)19-11-14(2)25-21-20(26-27(3)22(19)21)17-9-8-16(23)12-18(17)24/h8-9,11-12,15H,4-7,10,13H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132921
PNG
(CHEMBL112626 | [3-(2,4-Dichloro-phenyl)-1,5-dimeth...)
Show SMILES CCCCCN(CC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H26Cl2N4/c1-5-7-8-11-27(6-2)18-12-14(3)24-20-19(25-26(4)21(18)20)16-10-9-15(22)13-17(16)23/h9-10,12-13H,5-8,11H2,1-4H3
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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
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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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the cloned human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 14: 3669-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.019
BindingDB Entry DOI: 10.7270/Q2T72GWP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132914
PNG
(Butyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyr...)
Show SMILES CCCCN(CCSC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H26Cl2N4S/c1-5-6-9-27(10-11-28-4)18-12-14(2)24-20-19(25-26(3)21(18)20)16-8-7-15(22)13-17(16)23/h7-8,12-13H,5-6,9-11H2,1-4H3
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1.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132923
PNG
(CHEMBL326156 | Cyclopropylmethyl-[3-(2,4-dichloro-...)
Show SMILES CCCCCN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H28Cl2N4/c1-4-5-6-11-29(14-16-7-8-16)20-12-15(2)26-22-21(27-28(3)23(20)22)18-10-9-17(24)13-19(18)25/h9-10,12-13,16H,4-8,11,14H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
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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1.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50148898
PNG
(CHEMBL333903 | [3-(4-Chloro-phenyl)-2,5-dimethyl-3...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H25ClN4/c1-5-11-24(12-6-2)18-13-14(3)22-20-19(15(4)23-25(18)20)16-7-9-17(21)10-8-16/h7-10,13H,5-6,11-12H2,1-4H3
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1.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the cloned human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 14: 3669-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.019
BindingDB Entry DOI: 10.7270/Q2T72GWP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50149657
PNG
(Benzyl-[3-(3-chloro-5-trifluoromethyl-pyridin-2-yl...)
Show SMILES CCCN(Cc1ccccc1)c1cc(C)nc2c(c(C)nn12)-c1ncc(cc1Cl)C(F)(F)F |(3.1,6.22,;3.69,4.78,;2.76,3.59,;3.34,2.16,;4.88,1.95,;5.46,.53,;4.51,-.68,;5.11,-2.12,;6.63,-2.32,;7.57,-1.08,;6.98,.34,;2.41,.93,;2.99,-.47,;2.05,-1.69,;2.64,-3.11,;.54,-1.5,;-.04,-.08,;-1.49,.44,;-1.46,1.98,;-2.66,2.91,;.03,2.4,;.89,1.12,;-2.89,-.26,;-2.89,-1.78,;-4.22,-2.55,;-5.55,-1.78,;-5.55,-.26,;-4.22,.53,;-4.22,2.05,;-6.88,-2.55,;-8.11,-3.25,;-8.4,-1.99,;-7.14,-4.14,)|
Show InChI InChI=1S/C24H23ClF3N5/c1-4-10-32(14-17-8-6-5-7-9-17)20-11-15(2)30-23-21(16(3)31-33(20)23)22-19(25)12-18(13-29-22)24(26,27)28/h5-9,11-13H,4,10,14H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human CRF1 receptor


Bioorg Med Chem Lett 14: 3943-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.056
BindingDB Entry DOI: 10.7270/Q2KK9B7F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132901
PNG
(CHEMBL445075 | Cyclopropylmethyl-[3-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H24Cl2N4/c1-4-9-27(12-14-5-6-14)18-10-13(2)24-20-19(25-26(3)21(18)20)16-8-7-15(22)11-17(16)23/h7-8,10-11,14H,4-6,9,12H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132901
PNG
(CHEMBL445075 | Cyclopropylmethyl-[3-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H24Cl2N4/c1-4-9-27(12-14-5-6-14)18-10-13(2)24-20-19(25-26(3)21(18)20)16-8-7-15(22)11-17(16)23/h7-8,10-11,14H,4-6,9,12H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human corticotropin releasing factor receptor 1 expressed in HEK273 cells


Bioorg Med Chem Lett 13: 3367-70 (2003)


BindingDB Entry DOI: 10.7270/Q2542N05
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132907
PNG
(CHEMBL112152 | Cyclopropylmethyl-[3-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(nn(CC)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H26Cl2N4/c1-4-10-27(13-15-6-7-15)19-11-14(3)25-21-20(26-28(5-2)22(19)21)17-9-8-16(23)12-18(17)24/h8-9,11-12,15H,4-7,10,13H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human corticotropin releasing factor receptor 1 expressed in HEK273 cells


Bioorg Med Chem Lett 13: 3367-70 (2003)


BindingDB Entry DOI: 10.7270/Q2542N05
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50148895
PNG
(Butyl-[3-(2,4-dimethoxy-phenyl)-2,5-dimethyl-3H-py...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(18.13,-14.85,;18.17,-13.31,;16.86,-12.51,;16.91,-10.98,;15.58,-10.16,;15.63,-8.62,;14.32,-7.82,;14.24,-10.9,;14.19,-12.44,;12.82,-13.19,;12.78,-14.72,;11.5,-12.37,;11.55,-10.83,;10.45,-9.75,;11.12,-8.36,;10.39,-7.01,;12.65,-8.58,;12.92,-10.09,;8.94,-10.02,;8.42,-11.46,;6.91,-11.74,;5.9,-10.56,;4.4,-10.83,;3.88,-12.28,;6.44,-9.11,;7.95,-8.85,;8.48,-7.38,;7.49,-6.21,)|
Show InChI InChI=1S/C22H30N4O2/c1-7-9-12-25(8-2)20-13-15(3)23-22-21(16(4)24-26(20)22)18-11-10-17(27-5)14-19(18)28-6/h10-11,13-14H,7-9,12H2,1-6H3
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1.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the cloned human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 14: 3669-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.019
BindingDB Entry DOI: 10.7270/Q2T72GWP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132892
PNG
(Butyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyr...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H24Cl2N4/c1-5-7-10-26(6-2)17-11-13(3)23-19-18(24-25(4)20(17)19)15-9-8-14(21)12-16(15)22/h8-9,11-12H,5-7,10H2,1-4H3
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132892
PNG
(Butyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyr...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H24Cl2N4/c1-5-7-10-26(6-2)17-11-13(3)23-19-18(24-25(4)20(17)19)15-9-8-14(21)12-16(15)22/h8-9,11-12H,5-7,10H2,1-4H3
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human corticotropin releasing factor receptor 1 expressed in HEK273 cells


Bioorg Med Chem Lett 13: 3367-70 (2003)


BindingDB Entry DOI: 10.7270/Q2542N05
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50423641
PNG
(A-198401 | CHEMBL303274)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C47H69Cl2N3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-32(48)33(49)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42+,46+,47-/m1/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to inhibit [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the cloned human Gonadotropin-releasing hormone receptor was...


Bioorg Med Chem Lett 12: 2179-83 (2002)


BindingDB Entry DOI: 10.7270/Q28S4P8D
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132934
PNG
(CHEMBL324728 | Dibutyl-[3-(2-chloro-4,6-dimethyl-p...)
Show SMILES CCCCN(CCCC)c1cc(C)nc2c(nn(C)c12)-c1c(C)cc(C)cc1Cl |(15.65,1.54,;14.64,.39,;13.12,.69,;12.1,-.45,;10.59,-.15,;10.1,1.31,;11.11,2.47,;10.64,3.93,;11.65,5.09,;9.56,-1.31,;10.04,-2.77,;9.01,-3.91,;9.5,-5.39,;7.51,-3.6,;7.02,-2.14,;5.62,-1.52,;5.78,.02,;7.28,.34,;7.91,1.75,;8.05,-.99,;4.29,-2.3,;4.29,-3.84,;5.63,-4.61,;2.95,-4.61,;1.62,-3.84,;.28,-4.61,;1.62,-2.3,;2.95,-1.53,;2.95,.02,)|
Show InChI InChI=1S/C24H33ClN4/c1-7-9-11-29(12-10-8-2)20-15-18(5)26-23-22(27-28(6)24(20)23)21-17(4)13-16(3)14-19(21)25/h13-15H,7-12H2,1-6H3
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2.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]-sauvagine expressed in HEK293 cells


Bioorg Med Chem Lett 13: 3371-4 (2003)


BindingDB Entry DOI: 10.7270/Q21C1W8F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132902
PNG
(CHEMBL114861 | Dibutyl-[3-(2,4-dichloro-phenyl)-1-...)
Show SMILES CCCCN(CCCC)c1cc(C)nc2c(nn(CC)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H30Cl2N4/c1-5-8-12-28(13-9-6-2)20-14-16(4)26-22-21(27-29(7-3)23(20)22)18-11-10-17(24)15-19(18)25/h10-11,14-15H,5-9,12-13H2,1-4H3
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2.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human corticotropin releasing factor receptor 1 expressed in HEK273 cells


Bioorg Med Chem Lett 13: 3367-70 (2003)


BindingDB Entry DOI: 10.7270/Q2542N05
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50109255
PNG
(7-(4-Butyrylamino-phenyl)-1-(2-fluoro-benzyl)-6-[(...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)CCc1ccccc1
Show InChI InChI=1S/C40H45FN4O4/c1-5-13-37(46)42-31-20-18-29(19-21-31)33-24-38-44(25-30-16-11-12-17-35(30)41)26-34(40(48)49-32(6-2)7-3)39(47)45(38)36(33)27-43(4)23-22-28-14-9-8-10-15-28/h8-12,14-21,24,26,32H,5-7,13,22-23,25,27H2,1-4H3,(H,42,46)
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2.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human gonadotropin-releasing hormone (hGnRH) receptor expressed in HEK293 cells using des-Gly10[125I-Tyr,5DLeu,6NMeLeu,7Pro9-NEt]...


Bioorg Med Chem Lett 12: 403-6 (2002)


BindingDB Entry DOI: 10.7270/Q2542MXV
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132973
PNG
(CHEMBL114596 | Cyclopropylmethyl-[2-methyl-8-(2,4,...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(9.34,3.42,;9.34,1.88,;8.01,1.11,;8.01,-.43,;9.36,-1.2,;9.36,-2.74,;8.03,-3.51,;10.69,-3.51,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
Show InChI InChI=1S/C26H32N2/c1-6-12-28(16-21-10-11-21)24-15-20(5)27-26-22(24)8-7-9-23(26)25-18(3)13-17(2)14-19(25)4/h7-9,13-15,21H,6,10-12,16H2,1-5H3
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2.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152164
PNG
(CHEMBL366155 | [3-(6-Dimethylamino-2-methyl-pyridi...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(nc1C)N(C)C |(3.88,5.71,;4.35,4.24,;3.34,3.1,;3.81,1.63,;5.33,1.32,;6.35,2.47,;7.85,2.16,;2.78,.48,;3.27,-.98,;2.25,-2.13,;2.73,-3.59,;.75,-1.8,;.26,-.36,;-1.14,.27,;-1,1.81,;-2.14,2.82,;.52,2.12,;1.29,.79,;-2.47,-.52,;-3.8,.26,;-5.13,-.52,;-5.13,-2.06,;-3.8,-2.83,;-2.47,-2.06,;-1.14,-2.83,;-6.48,-2.83,;-6.48,-4.37,;-7.81,-2.06,)|
Show InChI InChI=1S/C22H32N6/c1-8-12-27(13-9-2)20-14-15(3)23-22-21(17(5)25-28(20)22)18-10-11-19(26(6)7)24-16(18)4/h10-11,14H,8-9,12-13H2,1-7H3
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2.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152183
PNG
(CHEMBL186033 | [3-(6-Dimethylamino-4-methyl-pyridi...)
Show SMILES CCN(Cc1ccc(C)cc1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.7,1.45,;4.67,.3,;3.17,.61,;2.68,2.07,;3.69,3.22,;3.2,4.68,;4.21,5.83,;5.75,5.52,;6.77,6.67,;6.23,4.05,;5.21,2.91,;2.15,-.54,;2.61,-1.99,;1.59,-3.15,;2.08,-4.6,;.1,-2.83,;-.39,-1.38,;-1.8,-.75,;-1.65,.79,;-2.8,1.8,;-.14,1.11,;.63,-.23,;-3.13,-1.52,;-3.13,-3.08,;-4.45,-3.85,;-5.79,-3.08,;-5.79,-1.54,;-4.45,-.75,;-4.46,.79,;-7.13,-3.85,;-8.46,-3.08,;-7.13,-5.39,)|
Show InChI InChI=1S/C26H32N6/c1-8-31(16-21-11-9-17(2)10-12-21)24-14-19(4)28-26-25(20(5)29-32(24)26)22-15-27-23(30(6)7)13-18(22)3/h9-15H,8,16H2,1-7H3
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2.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152178
PNG
(CHEMBL361509 | [3-(6-Dimethylamino-4-methyl-pyridi...)
Show SMILES CCN(Cc1ccccc1C)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.86,1.5,;4.84,.34,;3.33,.67,;2.85,2.13,;3.86,3.29,;5.37,2.96,;6.4,4.13,;5.91,5.58,;4.39,5.89,;3.37,4.74,;1.87,5.06,;2.3,-.49,;2.78,-1.94,;1.75,-3.09,;2.24,-4.56,;.26,-2.78,;-.23,-1.32,;-1.64,-.71,;-1.49,.84,;-2.64,1.86,;.02,1.16,;.79,-.17,;-2.97,-1.47,;-2.97,-3.02,;-4.3,-3.81,;-5.63,-3.02,;-5.63,-1.5,;-4.3,-.71,;-4.31,.84,;-6.98,-3.81,;-8.31,-3.02,;-6.98,-5.33,)|
Show InChI InChI=1S/C26H32N6/c1-8-31(16-21-12-10-9-11-17(21)2)24-14-19(4)28-26-25(20(5)29-32(24)26)22-15-27-23(30(6)7)13-18(22)3/h9-15H,8,16H2,1-7H3
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2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50148893
PNG
(CHEMBL332101 | Cyclopropylmethyl-[3-(4-methoxy-phe...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H28N4O/c1-5-12-25(14-17-6-7-17)20-13-15(2)23-22-21(16(3)24-26(20)22)18-8-10-19(27-4)11-9-18/h8-11,13,17H,5-7,12,14H2,1-4H3
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2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the cloned human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 14: 3669-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.019
BindingDB Entry DOI: 10.7270/Q2T72GWP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152179
PNG
(CHEMBL185705 | [3-(6-Dimethylamino-4-methyl-pyridi...)
Show SMILES CCN(Cc1cccc(C)c1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.79,1.42,;4.77,.27,;3.27,.6,;2.79,2.06,;3.81,3.22,;5.3,2.89,;6.34,4.04,;5.85,5.5,;4.33,5.81,;3.84,7.28,;3.32,4.67,;2.24,-.56,;2.72,-2.02,;1.68,-3.18,;2.18,-4.63,;.19,-2.86,;-.3,-1.4,;-1.7,-.78,;-1.54,.76,;-2.7,1.78,;-.04,1.09,;.73,-.26,;-3.03,-1.55,;-3.03,-3.09,;-4.36,-3.88,;-5.69,-3.09,;-5.69,-1.56,;-4.36,-.78,;-4.38,.76,;-7.03,-3.88,;-7.03,-5.42,;-8.36,-3.09,)|
Show InChI InChI=1S/C26H32N6/c1-8-31(16-21-11-9-10-17(2)12-21)24-14-19(4)28-26-25(20(5)29-32(24)26)22-15-27-23(30(6)7)13-18(22)3/h9-15H,8,16H2,1-7H3
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2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50148887
PNG
(CHEMBL120823 | Cyclopropylmethyl-[3-(2,4-dimethoxy...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC |(14.58,-6.56,;14.55,-8.11,;15.86,-8.9,;15.82,-10.44,;17.14,-11.26,;17.09,-12.79,;18.4,-13.59,;15.74,-13.52,;14.47,-11.19,;14.42,-12.73,;13.05,-13.48,;13.01,-15,;11.73,-12.65,;11.78,-11.11,;10.69,-10.04,;11.35,-8.64,;10.61,-7.28,;12.88,-8.86,;13.15,-10.37,;9.17,-10.3,;8.65,-11.75,;7.14,-12.03,;6.13,-10.83,;4.63,-11.12,;4.1,-12.56,;6.66,-9.39,;8.18,-9.12,;8.7,-7.66,;7.72,-6.5,)|
Show InChI InChI=1S/C23H30N4O2/c1-6-11-26(14-17-7-8-17)21-12-15(2)24-23-22(16(3)25-27(21)23)19-10-9-18(28-4)13-20(19)29-5/h9-10,12-13,17H,6-8,11,14H2,1-5H3
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2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the cloned human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 14: 3669-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.019
BindingDB Entry DOI: 10.7270/Q2T72GWP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132961
PNG
(Butyl-ethyl-[2-methyl-8-(2,4,6-trimethyl-phenyl)-q...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(cccc12)-c1c(C)cc(C)cc1C |(10.69,-5.05,;10.69,-3.51,;9.36,-2.74,;9.36,-1.2,;8.01,-.43,;8.01,1.11,;9.34,1.88,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;.01,-.44,;.02,1.1,;-1.32,-1.21,;-1.32,-2.75,;-2.65,-3.52,;.02,-3.52,;1.35,-2.75,;2.69,-3.52,)|
Show InChI InChI=1S/C25H32N2/c1-7-9-13-27(8-2)23-16-20(6)26-25-21(23)11-10-12-22(25)24-18(4)14-17(3)15-19(24)5/h10-12,14-16H,7-9,13H2,1-6H3
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2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132966
PNG
(CHEMBL114422 | Cyclopropylmethyl-[8-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(c(C)ccc12)-c1ccc(Cl)cc1Cl |(10.69,1.11,;9.34,1.88,;8.01,1.11,;8.01,-.43,;9.36,-1.2,;9.36,-2.74,;8.03,-3.51,;10.69,-3.51,;6.68,-1.22,;6.68,-2.75,;5.34,-3.53,;5.34,-5.07,;4.01,-2.76,;4.01,-1.22,;2.68,-.45,;2.68,1.1,;1.35,1.86,;4.01,1.87,;5.35,1.1,;5.35,-.45,;1.35,-1.22,;1.35,-2.75,;.02,-3.52,;-1.32,-2.75,;-2.65,-3.52,;-1.32,-1.21,;.01,-.44,;.02,1.1,)|
Show InChI InChI=1S/C24H26Cl2N2/c1-4-11-28(14-17-6-7-17)22-12-16(3)27-24-20(22)9-5-15(2)23(24)19-10-8-18(25)13-21(19)26/h5,8-10,12-13,17H,4,6-7,11,14H2,1-3H3
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2.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]-o-CRF as the radioligand


Bioorg Med Chem Lett 13: 3375-9 (2003)


BindingDB Entry DOI: 10.7270/Q2WM1CS4
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152176
PNG
((3,4-Dichloro-benzyl)-[3-(6-dimethylamino-4-methyl...)
Show SMILES CCN(Cc1ccc(Cl)c(Cl)c1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.58,1.23,;4.56,.09,;3.06,.39,;2.57,1.84,;3.59,3,;5.09,2.7,;6.12,3.84,;5.63,5.31,;6.66,6.46,;4.11,5.6,;3.62,7.06,;3.1,4.47,;2.03,-.77,;2.5,-2.2,;1.48,-3.37,;1.97,-4.81,;-.02,-3.06,;-.51,-1.59,;-1.91,-.96,;-1.75,.56,;-2.91,1.58,;-.25,.9,;.52,-.45,;-3.24,-1.75,;-3.24,-3.3,;-4.57,-4.07,;-5.9,-3.3,;-5.9,-1.76,;-4.57,-.96,;-4.57,.56,;-7.23,-4.07,;-8.58,-3.3,;-7.23,-5.61,)|
Show InChI InChI=1S/C25H28Cl2N6/c1-7-32(14-18-8-9-20(26)21(27)12-18)23-11-16(3)29-25-24(17(4)30-33(23)25)19-13-28-22(31(5)6)10-15(19)2/h8-13H,7,14H2,1-6H3
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2.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152173
PNG
(Butyl-[3-(6-dimethylamino-4-methyl-pyridin-3-yl)-2...)
Show SMILES CCCCN(CC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(5.11,6.53,;4.07,5.37,;4.56,3.91,;3.55,2.75,;4.02,1.3,;5.51,.97,;6.56,2.14,;2.99,.14,;3.46,-1.31,;2.45,-2.46,;2.94,-3.93,;.96,-2.15,;.45,-.68,;-.93,-.05,;-.79,1.46,;-1.95,2.49,;.71,1.79,;1.49,.46,;-2.28,-.85,;-2.28,-2.39,;-3.59,-3.16,;-4.94,-2.39,;-4.94,-.85,;-3.59,-.08,;-3.61,1.46,;-6.27,-3.16,;-6.27,-4.7,;-7.6,-2.39,)|
Show InChI InChI=1S/C22H32N6/c1-8-10-11-27(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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2.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50152169
PNG
(CHEMBL189821 | Cyclopropylmethyl-[3-(6-dimethylami...)
Show SMILES CCCN(CC1CC1)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(3.74,5.38,;4.2,3.92,;3.2,2.77,;3.69,1.31,;5.18,.99,;6.21,2.14,;6.51,3.65,;7.67,2.61,;2.66,.16,;3.13,-1.31,;2.11,-2.46,;2.6,-3.92,;.61,-2.13,;.12,-.68,;-1.27,-.05,;-1.12,1.46,;-2.28,2.49,;.38,1.8,;1.15,.47,;-2.6,-.84,;-2.6,-2.39,;-3.93,-3.15,;-5.26,-2.39,;-5.26,-.84,;-3.93,-.05,;-3.94,1.46,;-6.6,-3.15,;-7.93,-2.39,;-6.6,-4.69,)|
Show InChI InChI=1S/C23H32N6/c1-7-10-28(14-18-8-9-18)21-12-16(3)25-23-22(17(4)26-29(21)23)19-13-24-20(27(5)6)11-15(19)2/h11-13,18H,7-10,14H2,1-6H3
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2.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-o-CRF binding to CHO cells expressing human CRF1 receptor


J Med Chem 47: 4787-98 (2004)


Article DOI: 10.1021/jm040058e
BindingDB Entry DOI: 10.7270/Q2N29WDR
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50148892
PNG
(Butyl-ethyl-[2,3,6-trimethyl-1-(2,4,6-trimethyl-ph...)
Show SMILES CCCCN(CC)c1cc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(15.07,3.86,;13.72,3.12,;13.67,1.59,;14.99,.78,;14.95,-.75,;16.26,-1.56,;16.21,-3.1,;13.6,-1.49,;13.55,-3.03,;12.18,-3.78,;12.13,-5.3,;10.87,-2.96,;10.92,-1.41,;9.81,-.33,;10.47,1.04,;9.75,2.4,;12.01,.83,;13.1,1.93,;12.29,-.68,;8.31,-.61,;7.3,.57,;7.84,2.02,;5.79,.3,;5.28,-1.15,;3.76,-1.42,;6.27,-2.33,;7.79,-2.06,;8.77,-3.22,)|
Show InChI InChI=1S/C25H35N3/c1-9-11-12-27(10-2)22-15-19(6)26-25-23(22)20(7)21(8)28(25)24-17(4)13-16(3)14-18(24)5/h13-15H,9-12H2,1-8H3
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2.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human CRF1 receptor


Bioorg Med Chem Lett 14: 3943-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.056
BindingDB Entry DOI: 10.7270/Q2KK9B7F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50148892
PNG
(Butyl-ethyl-[2,3,6-trimethyl-1-(2,4,6-trimethyl-ph...)
Show SMILES CCCCN(CC)c1cc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(15.07,3.86,;13.72,3.12,;13.67,1.59,;14.99,.78,;14.95,-.75,;16.26,-1.56,;16.21,-3.1,;13.6,-1.49,;13.55,-3.03,;12.18,-3.78,;12.13,-5.3,;10.87,-2.96,;10.92,-1.41,;9.81,-.33,;10.47,1.04,;9.75,2.4,;12.01,.83,;13.1,1.93,;12.29,-.68,;8.31,-.61,;7.3,.57,;7.84,2.02,;5.79,.3,;5.28,-1.15,;3.76,-1.42,;6.27,-2.33,;7.79,-2.06,;8.77,-3.22,)|
Show InChI InChI=1S/C25H35N3/c1-9-11-12-27(10-2)22-15-19(6)26-25-23(22)20(7)21(8)28(25)24-17(4)13-16(3)14-18(24)5/h13-15H,9-12H2,1-8H3
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2.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the cloned human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 14: 3669-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.019
BindingDB Entry DOI: 10.7270/Q2T72GWP
More data for this
Ligand-Target Pair
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