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Compile Data Set for Download or QSAR

Found 1558 hits with Last Name = 'dyck' and Initial = 'b'   
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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188823
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES COc1ccc(cc1)-c1ccc2c(c1)occ(-c1ccc(nc1)N1CCC(C1)N(C)C)c2=O
Show InChI InChI=1S/C27H27N3O3/c1-29(2)21-12-13-30(16-21)26-11-7-20(15-28-26)24-17-33-25-14-19(6-10-23(25)27(24)31)18-4-8-22(32-3)9-5-18/h4-11,14-15,17,21H,12-13,16H2,1-3H3
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0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168622
PNG
((S)-3-{[5-(4-Ethyl-phenyl)-thiophene-2-carbonyl]-m...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N(C)[C@@H]1CCN(C)C1
Show InChI InChI=1S/C25H34N4O2S/c1-5-18-6-8-19(9-7-18)22-10-11-23(32-22)24(30)27(3)21-13-15-29(17-21)25(31)28(4)20-12-14-26(2)16-20/h6-11,20-21H,5,12-17H2,1-4H3/t20-,21+/m1/s1
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ...


Bioorg Med Chem Lett 15: 3439-45 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168624
PNG
((S)-3-{[5-(2-Chloro-4-methyl-phenyl)-thiophene-2-c...)
Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(C)cc1Cl
Show InChI InChI=1S/C24H31ClN4O2S/c1-16-5-6-19(20(25)13-16)21-7-8-22(32-21)23(30)27(3)18-10-12-29(15-18)24(31)28(4)17-9-11-26(2)14-17/h5-8,13,17-18H,9-12,14-15H2,1-4H3/t17-,18+/m1/s1
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ...


Bioorg Med Chem Lett 15: 3439-45 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50206687
PNG
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)
Show SMILES CN([C@H]1CCN(C1)C1CCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H30ClN5O2S/c1-29(20-9-11-30(14-20)19-3-2-4-19)26(34)31-12-10-21(15-31)32-16-28-22-13-23(35-24(22)25(32)33)17-5-7-18(27)8-6-17/h5-8,13,16,19-21H,2-4,9-12,14-15H2,1H3/t20-,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 17: 2535-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50171332
PNG
(1-(2-Bromo-4-isopropyl-phenyl)-7-methyl-5-(1-propy...)
Show SMILES CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(cc1Br)C(C)C)c2=O |(-5.8,2.54,;-4.46,3.31,;-3.13,2.54,;-1.79,3.31,;-1.78,4.86,;-.44,5.63,;-.44,7.18,;-.44,2.52,;.9,3.29,;2.23,2.52,;2.22,.97,;.89,.2,;-.44,.97,;-1.78,.19,;-1.78,-1.36,;-3.27,-1.8,;.08,-2.35,;1.22,-1.32,;2.76,-1.46,;3.73,-2.67,;3.16,-4.1,;4.14,-5.31,;5.66,-5.06,;6.2,-3.63,;5.25,-2.44,;5.81,-1.01,;6.41,-6.39,;5.64,-7.72,;7.96,-6.41,;3.37,-.05,;4.89,.27,)|
Show InChI InChI=1S/C25H33BrN4O/c1-6-8-19(9-7-2)28-12-13-29-23-22(28)14-17(5)27-24(23)30(25(29)31)21-11-10-18(16(3)4)15-20(21)26/h10-11,14-16,19H,6-9,12-13H2,1-5H3
PDB
MMDB

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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 corticotropin-releasing factor-1 expressed in leukocyte tyrosine kinase cells


J Med Chem 48: 5104-7 (2005)


Article DOI: 10.1021/jm050384+
BindingDB Entry DOI: 10.7270/Q2610ZVM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50189587
PNG
((S)-6-(4-chlorophenyl)-2-(6-(3-(dimethylamino)pyrr...)
Show SMILES CN(C)[C@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN5O/c1-29(2)22-11-12-30(16-22)24-10-8-21(15-27-24)31-25(32)23-9-5-18(13-19(23)14-28-31)17-3-6-20(26)7-4-17/h3-10,13-15,22H,11-12,16H2,1-2H3/t22-/m0/s1
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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 chimeric rat/human MCH1R stably expressed in HEK293 cells


J Med Chem 49: 3753-6 (2006)


Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50189584
PNG
((R)-6-(4-chlorophenyl)-2-(6-(3-(dimethylamino)pyrr...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN5O/c1-29(2)22-11-12-30(16-22)24-10-8-21(15-27-24)31-25(32)23-9-5-18(13-19(23)14-28-31)17-3-6-20(26)7-4-17/h3-10,13-15,22H,11-12,16H2,1-2H3/t22-/m1/s1
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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 chimeric rat/human MCH1R stably expressed in HEK293 cells


J Med Chem 49: 3753-6 (2006)


Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50189581
PNG
((S)-6-(4-chlorophenyl)-2-(6-(3-(methylamino)pyrrol...)
Show SMILES CN[C@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN5O/c1-26-20-10-11-29(15-20)23-9-7-21(14-27-23)30-24(31)22-8-4-17(12-18(22)13-28-30)16-2-5-19(25)6-3-16/h2-9,12-14,20,26H,10-11,15H2,1H3/t20-/m0/s1
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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 chimeric rat/human MCH1R stably expressed in HEK293 cells


J Med Chem 49: 3753-6 (2006)


Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50189592
PNG
((R)-2-(4-methoxyphenyl)-6-(6-(3-(methylamino)pyrro...)
Show SMILES CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H23N5O2S/c1-24-17-9-10-27(14-17)21-8-5-18(13-25-21)28-23(29)22-16(12-26-28)11-20(31-22)15-3-6-19(30-2)7-4-15/h3-8,11-13,17,24H,9-10,14H2,1-2H3/t17-/m1/s1
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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 chimeric rat/human MCH1R stably expressed in HEK293 cells


J Med Chem 49: 3753-6 (2006)


Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188825
PNG
((S)-7-(4-chlorophenyl)-3-(6-(3-(dimethylamino)pyrr...)
Show SMILES CN(C)[C@H]1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24ClN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3/t21-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50189589
PNG
((R)-6-(4-chlorophenyl)-2-(6-(3-(methylamino)pyrrol...)
Show SMILES CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN5O/c1-26-20-10-11-29(15-20)23-9-7-21(14-27-23)30-24(31)22-8-4-17(12-18(22)13-28-30)16-2-5-19(25)6-3-16/h2-9,12-14,20,26H,10-11,15H2,1H3/t20-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells


J Med Chem 49: 3753-6 (2006)


Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188826
PNG
((R)-7-(4-chlorophenyl)-3-(6-(3-(dimethylamino)pyrr...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24ClN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3/t21-/m1/s1
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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 human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50189582
PNG
((S)-6-(4-chlorophenyl)-2-(6-(3-(pyrrolidin-1-ylami...)
Show SMILES Clc1ccc(cc1)-c1ccc2c(cnn(-c3ccc(nc3)N3CC[C@@H](C3)NN3CCCC3)c2=O)c1
Show InChI InChI=1S/C27H27ClN6O/c28-22-6-3-19(4-7-22)20-5-9-25-21(15-20)16-30-34(27(25)35)24-8-10-26(29-17-24)32-14-11-23(18-32)31-33-12-1-2-13-33/h3-10,15-17,23,31H,1-2,11-14,18H2/t23-/m0/s1
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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 chimeric rat/human MCH1R stably expressed in HEK293 cells


J Med Chem 49: 3753-6 (2006)


Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50160730
PNG
(3-{(S)-Methyl-[5-(4-trifluoromethyl-phenyl)-thioph...)
Show SMILES CN([C@@H]1CCN(C1)C1CCC(C)(C)CC1)C(=O)N1CCC(C1)N(C)C(=O)c1ccc(s1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H41F3N4O2S/c1-30(2)15-11-23(12-16-30)37-17-13-25(19-37)36(4)29(40)38-18-14-24(20-38)35(3)28(39)27-10-9-26(41-27)21-5-7-22(8-6-21)31(32,33)34/h5-10,23-25H,11-20H2,1-4H3/t24?,25-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human Melanin-concentrating hormone 1 (MCH1) receptor modified for optimal expression in HEK293 cells


Bioorg Med Chem Lett 15: 999-1004 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.036
BindingDB Entry DOI: 10.7270/Q21R6R9X
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50189579
PNG
((S)-6-(4-chlorophenyl)-2-(6-(3-(ethylamino)pyrroli...)
Show SMILES CCN[C@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN5O/c1-2-27-21-11-12-30(16-21)24-10-8-22(15-28-24)31-25(32)23-9-5-18(13-19(23)14-29-31)17-3-6-20(26)7-4-17/h3-10,13-15,21,27H,2,11-12,16H2,1H3/t21-/m0/s1
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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 chimeric rat/human MCH1R stably expressed in HEK293 cells


J Med Chem 49: 3753-6 (2006)


Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50189578
PNG
((R)-2-(4-chlorophenyl)-6-(6-(3-(methylamino)pyrrol...)
Show SMILES CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClN5OS/c1-24-17-8-9-27(13-17)20-7-6-18(12-25-20)28-22(29)21-15(11-26-28)10-19(30-21)14-2-4-16(23)5-3-14/h2-7,10-12,17,24H,8-9,13H2,1H3/t17-/m1/s1
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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 chimeric rat/human MCH1R stably expressed in HEK293 cells


J Med Chem 49: 3753-6 (2006)


Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50189593
PNG
((S)-2-(4-fluorophenyl)-6-(6-(3-(methylamino)pyrrol...)
Show SMILES CN[C@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN5OS/c1-24-17-8-9-27(13-17)20-7-6-18(12-25-20)28-22(29)21-15(11-26-28)10-19(30-21)14-2-4-16(23)5-3-14/h2-7,10-12,17,24H,8-9,13H2,1H3/t17-/m0/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells


J Med Chem 49: 3753-6 (2006)


Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168616
PNG
((S)-3-{[5-(2-Chloro-4-ethoxy-phenyl)-thiophene-2-c...)
Show SMILES CCOc1ccc(-c2ccc(s2)C(=O)N(C)[C@H]2CCN(C2)C(=O)N(C)[C@@H]2CCN(C)C2)c(Cl)c1
Show InChI InChI=1S/C25H33ClN4O3S/c1-5-33-19-6-7-20(21(26)14-19)22-8-9-23(34-22)24(31)28(3)18-11-13-30(16-18)25(32)29(4)17-10-12-27(2)15-17/h6-9,14,17-18H,5,10-13,15-16H2,1-4H3/t17-,18+/m1/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ...


Bioorg Med Chem Lett 15: 3439-45 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188817
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C26H24FN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50171318
PNG
(1-(4-Methoxy-phenyl)-7-methyl-5-(1-propyl-butyl)-4...)
Show SMILES CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(OC)cc1)c2=O
Show InChI InChI=1S/C23H30N4O2/c1-5-7-17(8-6-2)25-13-14-26-21-20(25)15-16(3)24-22(21)27(23(26)28)18-9-11-19(29-4)12-10-18/h9-12,15,17H,5-8,13-14H2,1-4H3
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MMDB

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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity for corticotropin-releasing factor-1 expressed in leukocyte tyrosine kinase cells


J Med Chem 48: 5104-7 (2005)


Article DOI: 10.1021/jm050384+
BindingDB Entry DOI: 10.7270/Q2610ZVM
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50206675
PNG
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)
Show SMILES CN([C@H]1CCN(C1)C1CCC(C)(C)CC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C30H38ClN5O2S/c1-30(2)12-8-22(9-13-30)34-14-10-23(17-34)33(3)29(38)35-15-11-24(18-35)36-19-32-25-16-26(39-27(25)28(36)37)20-4-6-21(31)7-5-20/h4-7,16,19,22-24H,8-15,17-18H2,1-3H3/t23-,24-/m0/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 17: 2535-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168611
PNG
((S)-3-{Methyl-[5-(4-trifluoromethyl-phenyl)-thioph...)
Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H29F3N4O2S/c1-28-12-10-18(14-28)30(3)23(33)31-13-11-19(15-31)29(2)22(32)21-9-8-20(34-21)16-4-6-17(7-5-16)24(25,26)27/h4-9,18-19H,10-15H2,1-3H3/t18-,19+/m1/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ...


Bioorg Med Chem Lett 15: 3439-45 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168615
PNG
((S)-3-[(4'-Chloro-biphenyl-4-carbonyl)-methyl-amin...)
Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H31ClN4O2/c1-27-14-12-22(16-27)29(3)25(32)30-15-13-23(17-30)28(2)24(31)20-6-4-18(5-7-20)19-8-10-21(26)11-9-19/h4-11,22-23H,12-17H2,1-3H3/t22-,23+/m1/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ...


Bioorg Med Chem Lett 15: 3439-45 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168618
PNG
((S)-3-{[5-(4-Chloro-phenyl)-thiophene-2-carbonyl]-...)
Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H29ClN4O2S/c1-25-12-10-18(14-25)27(3)23(30)28-13-11-19(15-28)26(2)22(29)21-9-8-20(31-21)16-4-6-17(24)7-5-16/h4-9,18-19H,10-15H2,1-3H3/t18-,19+/m1/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ...


Bioorg Med Chem Lett 15: 3439-45 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188834
PNG
(7-(4-chlorophenyl)-3-(6-(3-(dimethylamino)pyrrolid...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24ClN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3
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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 MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50189594
PNG
((R)-2-(4-fluorophenyl)-6-(6-(3-(methylamino)pyrrol...)
Show SMILES CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN5OS/c1-24-17-8-9-27(13-17)20-7-6-18(12-25-20)28-22(29)21-15(11-26-28)10-19(30-21)14-2-4-16(23)5-3-14/h2-7,10-12,17,24H,8-9,13H2,1H3/t17-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells


J Med Chem 49: 3753-6 (2006)


Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50189591
PNG
((R)-2-(4-ethylphenyl)-6-(6-(3-(methylamino)pyrroli...)
Show SMILES CCc1ccc(cc1)-c1cc2cnn(-c3ccc(nc3)N3CC[C@H](C3)NC)c(=O)c2s1
Show InChI InChI=1S/C24H25N5OS/c1-3-16-4-6-17(7-5-16)21-12-18-13-27-29(24(30)23(18)31-21)20-8-9-22(26-14-20)28-11-10-19(15-28)25-2/h4-9,12-14,19,25H,3,10-11,15H2,1-2H3/t19-/m1/s1
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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 chimeric rat/human MCH1R stably expressed in HEK293 cells


J Med Chem 49: 3753-6 (2006)


Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168462
PNG
(2-(2,4-Dichloro-phenyl)-4-methyl-6-(1-propyl-butyl...)
Show SMILES CCCC(CCC)N1CCc2nn(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23
Show InChI InChI=1S/C22H26Cl2N4/c1-4-6-16(7-5-2)27-11-10-18-21-20(27)12-14(3)25-22(21)28(26-18)19-9-8-15(23)13-17(19)24/h8-9,12-13,16H,4-7,10-11H2,1-3H3
PDB
MMDB

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2.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168623
PNG
((S)-3-{[5-(2,4-Dichloro-phenyl)-thiophene-2-carbon...)
Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H28Cl2N4O2S/c1-26-10-8-16(13-26)28(3)23(31)29-11-9-17(14-29)27(2)22(30)21-7-6-20(32-21)18-5-4-15(24)12-19(18)25/h4-7,12,16-17H,8-11,13-14H2,1-3H3/t16-,17+/m1/s1
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ...


Bioorg Med Chem Lett 15: 3439-45 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168633
PNG
((S)-3-[Methyl-(5-p-tolyl-thiophene-2-carbonyl)-ami...)
Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(C)cc1
Show InChI InChI=1S/C24H32N4O2S/c1-17-5-7-18(8-6-17)21-9-10-22(31-21)23(29)26(3)20-12-14-28(16-20)24(30)27(4)19-11-13-25(2)15-19/h5-10,19-20H,11-16H2,1-4H3/t19-,20+/m1/s1
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ...


Bioorg Med Chem Lett 15: 3439-45 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168630
PNG
((S)-3-{[5-(2,4-Dimethyl-phenyl)-thiophene-2-carbon...)
Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(C)cc1C
Show InChI InChI=1S/C25H34N4O2S/c1-17-6-7-21(18(2)14-17)22-8-9-23(32-22)24(30)27(4)20-11-13-29(16-20)25(31)28(5)19-10-12-26(3)15-19/h6-9,14,19-20H,10-13,15-16H2,1-5H3/t19-,20+/m1/s1
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ...


Bioorg Med Chem Lett 15: 3439-45 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168635
PNG
((S)-3-{[5-(4-Methoxy-2-methyl-phenyl)-thiophene-2-...)
Show SMILES COc1ccc(-c2ccc(s2)C(=O)N(C)[C@H]2CCN(C2)C(=O)N(C)[C@@H]2CCN(C)C2)c(C)c1
Show InChI InChI=1S/C25H34N4O3S/c1-17-14-20(32-5)6-7-21(17)22-8-9-23(33-22)24(30)27(3)19-11-13-29(16-19)25(31)28(4)18-10-12-26(2)15-18/h6-9,14,18-19H,10-13,15-16H2,1-5H3/t18-,19+/m1/s1
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ...


Bioorg Med Chem Lett 15: 3439-45 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168605
PNG
((S)-3-{[5-(4-Chloro-2-methyl-phenyl)-thiophene-2-c...)
Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(Cl)cc1C
Show InChI InChI=1S/C24H31ClN4O2S/c1-16-13-17(25)5-6-20(16)21-7-8-22(32-21)23(30)27(3)19-10-12-29(15-19)24(31)28(4)18-9-11-26(2)14-18/h5-8,13,18-19H,9-12,14-15H2,1-4H3/t18-,19+/m1/s1
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ...


Bioorg Med Chem Lett 15: 3439-45 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50206679
PNG
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)
Show SMILES CN([C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H30ClN5O2S/c1-29(20-8-10-30(14-20)13-17-2-3-17)26(34)31-11-9-21(15-31)32-16-28-22-12-23(35-24(22)25(32)33)18-4-6-19(27)7-5-18/h4-7,12,16-17,20-21H,2-3,8-11,13-15H2,1H3/t20-,21-/m0/s1
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 17: 2535-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50206666
PNG
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)
Show SMILES CN([C@H]1CCN(C1)C1CCOCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H32ClN5O3S/c1-30(21-6-10-31(15-21)20-8-12-36-13-9-20)27(35)32-11-7-22(16-32)33-17-29-23-14-24(37-25(23)26(33)34)18-2-4-19(28)5-3-18/h2-5,14,17,20-22H,6-13,15-16H2,1H3/t21-,22-/m0/s1
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 17: 2535-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188835
PNG
(7-(4-bromophenyl)-3-(6-(3-(dimethylamino)pyrrolidi...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C26H24BrN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074501
PNG
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)|
Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3
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3.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity for corticotropin-releasing factor-1 expressed in leukocyte tyrosine kinase cells


J Med Chem 48: 5104-7 (2005)


Article DOI: 10.1021/jm050384+
BindingDB Entry DOI: 10.7270/Q2610ZVM
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074501
PNG
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)|
Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3
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3.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50189586
PNG
((S)-6-(6-(3-(methylamino)pyrrolidin-1-yl)pyridin-3...)
Show SMILES CN[C@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N5OS/c1-27-17-8-9-30(13-17)20-7-6-18(12-28-20)31-22(32)21-15(11-29-31)10-19(33-21)14-2-4-16(5-3-14)23(24,25)26/h2-7,10-12,17,27H,8-9,13H2,1H3/t17-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells


J Med Chem 49: 3753-6 (2006)


Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188832
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES COc1ccc(c(C)c1)-c1ccc2c(c1)occ(-c1ccc(nc1)N1CCC(C1)N(C)C)c2=O
Show InChI InChI=1S/C28H29N3O3/c1-18-13-22(33-4)7-9-23(18)19-5-8-24-26(14-19)34-17-25(28(24)32)20-6-10-27(29-15-20)31-12-11-21(16-31)30(2)3/h5-10,13-15,17,21H,11-12,16H2,1-4H3
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3.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50189576
PNG
((R)-6-(6-(3-(methylamino)pyrrolidin-1-yl)pyridin-3...)
Show SMILES CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N5OS/c1-27-17-8-9-30(13-17)20-7-6-18(12-28-20)31-22(32)21-15(11-29-31)10-19(33-21)14-2-4-16(5-3-14)23(24,25)26/h2-7,10-12,17,27H,8-9,13H2,1H3/t17-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells


J Med Chem 49: 3753-6 (2006)


Article DOI: 10.1021/jm051263c
BindingDB Entry DOI: 10.7270/Q2Z037SN
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168475
PNG
(1-(2-Chloro-4-methyl-phenyl)-7-methyl-5-(1-propyl-...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(C)cc3Cl)c3nc(C)cc1c23
Show InChI InChI=1S/C24H30ClN3/c1-5-7-19(8-6-2)27-12-11-18-15-28(21-10-9-16(3)13-20(21)25)24-23(18)22(27)14-17(4)26-24/h9-10,13-15,19H,5-8,11-12H2,1-4H3
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3.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168631
PNG
((S)-3-{Methyl-[5-(4-trifluoromethoxy-phenyl)-thiop...)
Show SMILES CN([C@@H]1CCN(C)C1)C(=O)N1CC[C@@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H29F3N4O3S/c1-28-12-10-17(14-28)30(3)23(33)31-13-11-18(15-31)29(2)22(32)21-9-8-20(35-21)16-4-6-19(7-5-16)34-24(25,26)27/h4-9,17-18H,10-15H2,1-3H3/t17-,18+/m1/s1
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4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ...


Bioorg Med Chem Lett 15: 3439-45 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50168628
PNG
((S)-3-{[5-(4-Methoxy-phenyl)-thiophene-2-carbonyl]...)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N(C)[C@@H]1CCN(C)C1
Show InChI InChI=1S/C24H32N4O3S/c1-25-13-11-18(15-25)27(3)24(30)28-14-12-19(16-28)26(2)23(29)22-10-9-21(32-22)17-5-7-20(31-4)8-6-17/h5-10,18-19H,11-16H2,1-4H3/t18-,19+/m1/s1
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4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards the human MCH-R1 receptor by displacing [125I]-Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independ...


Bioorg Med Chem Lett 15: 3439-45 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.015
BindingDB Entry DOI: 10.7270/Q2T72H0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50206681
PNG
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)
Show SMILES CN([C@H]1CCN(Cc2ccoc2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28ClN5O3S/c1-30(21-6-9-31(14-21)13-18-8-11-36-16-18)27(35)32-10-7-22(15-32)33-17-29-23-12-24(37-25(23)26(33)34)19-2-4-20(28)5-3-19/h2-5,8,11-12,16-17,21-22H,6-7,9-10,13-15H2,1H3/t21-,22-/m0/s1
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4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 17: 2535-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50206690
PNG
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)
Show SMILES CN([C@H]1CCN(CC2CCOC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 |w:7.6|
Show InChI InChI=1S/C27H32ClN5O3S/c1-30(21-6-9-31(14-21)13-18-8-11-36-16-18)27(35)32-10-7-22(15-32)33-17-29-23-12-24(37-25(23)26(33)34)19-2-4-20(28)5-3-19/h2-5,12,17-18,21-22H,6-11,13-16H2,1H3/t18?,21-,22-/m0/s1
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4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 17: 2535-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50206677
PNG
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)
Show SMILES CN([C@H]1CCN(C1)C1CCCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H32ClN5O2S/c1-30(21-10-12-31(15-21)20-4-2-3-5-20)27(35)32-13-11-22(16-32)33-17-29-23-14-24(36-25(23)26(33)34)18-6-8-19(28)9-7-18/h6-9,14,17,20-22H,2-5,10-13,15-16H2,1H3/t21-,22-/m0/s1
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4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 17: 2535-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50190268
PNG
(4'-methylsulfanyl-biphenyl-4-carboxylic acid methy...)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1
Show InChI InChI=1S/C33H40N4O2S/c1-35(32(38)28-12-10-26(11-13-28)27-14-16-31(40-2)17-15-27)30-19-22-37(24-30)33(39)36-21-18-29(23-36)34-20-6-9-25-7-4-3-5-8-25/h3-5,7-8,10-17,29-30,34H,6,9,18-24H2,1-2H3/t29-,30-/m0/s1
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4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4450-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.045
BindingDB Entry DOI: 10.7270/Q23J3CKC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188820
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C26H25N3O2/c1-28(2)21-12-13-29(16-21)25-11-9-20(15-27-25)23-17-31-24-14-19(8-10-22(24)26(23)30)18-6-4-3-5-7-18/h3-11,14-15,17,21H,12-13,16H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50168466
PNG
(1-(2,4-Dichloro-phenyl)-7-methyl-5-(1-propyl-butyl...)
Show SMILES CCCC(CCC)N1CCc2cn(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c23
Show InChI InChI=1S/C23H27Cl2N3/c1-4-6-18(7-5-2)27-11-10-16-14-28(20-9-8-17(24)13-19(20)25)23-22(16)21(27)12-15(3)26-23/h8-9,12-14,18H,4-7,10-11H2,1-3H3
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4.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells


J Med Chem 48: 4100-10 (2005)


Article DOI: 10.1021/jm050070m
BindingDB Entry DOI: 10.7270/Q2ZK5HGJ
More data for this
Ligand-Target Pair
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