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Compile Data Set for Download or QSAR

Found 2862 hits with Last Name = 'kim' and Initial = 'n'   
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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM85817
PNG
(NNC 11-1585)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.45,.06,;3.22,1.4,;4.76,1.4,;5.39,2.81,;6.92,2.64,;7.24,1.14,;5.91,.37,;5.51,-1.12,;6.28,-2.45,;5.51,-3.79,;3.97,-3.79,;3.2,-2.45,;3.97,-1.12,;5.3,-1.89,;4.21,-2.98,;.91,.06,;-.63,.06,;-2.17,.06,;-2.94,-1.27,;-4.48,-1.27,;-5.25,.06,;-4.48,1.4,;-2.94,1.4,;-6.79,.06,;-8.33,.07,;-9.87,.06,;-10.64,1.4,;-12.18,1.4,;-12.8,2.81,;-14.33,2.64,;-14.66,1.14,;-13.32,.37,;-12.92,-1.12,;-13.69,-2.45,;-12.92,-3.79,;-11.38,-3.79,;-10.61,-2.45,;-11.38,-1.12,;-12.72,-1.89,;-11.63,-2.98,)|
Show InChI InChI=1S/C30H32N6O2S2/c1(17-37-29-27(31-39-33-29)25-19-35-13-9-23(25)10-14-35)3-21-5-7-22(8-6-21)4-2-18-38-30-28(32-40-34-30)26-20-36-15-11-24(26)12-16-36/h5-8,23-26H,9-20H2
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0.0790n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM85817
PNG
(NNC 11-1585)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.45,.06,;3.22,1.4,;4.76,1.4,;5.39,2.81,;6.92,2.64,;7.24,1.14,;5.91,.37,;5.51,-1.12,;6.28,-2.45,;5.51,-3.79,;3.97,-3.79,;3.2,-2.45,;3.97,-1.12,;5.3,-1.89,;4.21,-2.98,;.91,.06,;-.63,.06,;-2.17,.06,;-2.94,-1.27,;-4.48,-1.27,;-5.25,.06,;-4.48,1.4,;-2.94,1.4,;-6.79,.06,;-8.33,.07,;-9.87,.06,;-10.64,1.4,;-12.18,1.4,;-12.8,2.81,;-14.33,2.64,;-14.66,1.14,;-13.32,.37,;-12.92,-1.12,;-13.69,-2.45,;-12.92,-3.79,;-11.38,-3.79,;-10.61,-2.45,;-11.38,-1.12,;-12.72,-1.89,;-11.63,-2.98,)|
Show InChI InChI=1S/C30H32N6O2S2/c1(17-37-29-27(31-39-33-29)25-19-35-13-9-23(25)10-14-35)3-21-5-7-22(8-6-21)4-2-18-38-30-28(32-40-34-30)26-20-36-15-11-24(26)12-16-36/h5-8,23-26H,9-20H2
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0.129n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189013
PNG
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(3H-imida...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.43,43.54,(1.84,-9.34,;3.18,-8.56,;4.51,-9.34,;4.51,-10.88,;5.85,-8.58,;7.18,-9.35,;7.18,-10.89,;5.84,-11.66,;5.83,-13.19,;7.17,-13.96,;7.17,-15.49,;8.51,-16.27,;9.84,-15.49,;9.83,-13.95,;8.51,-13.19,;8.51,-11.65,;5.85,-7.03,;4.52,-6.26,;4.52,-4.73,;5.86,-3.95,;7.19,-4.72,;8.53,-3.94,;9.85,-4.71,;11.19,-3.94,;12.52,-4.71,;13.86,-3.94,;15.2,-4.7,;13.86,-2.4,;7.19,-6.27,;8.52,-7.04,;5.85,-2.41,;7.19,-1.65,;4.52,-1.65,;3.18,-2.41,;1.84,-1.66,;.51,-2.41,;-.83,-1.66,;-.82,-.11,;.5,.67,;1.84,-.11,;4.52,-.11,;5.85,.66,;7.2,-.11,;5.85,2.21,;7.2,2.98,;8.54,2.21,;8.7,.67,;10.21,.35,;10.99,1.69,;9.95,2.84,;4.52,2.98,;4.51,4.52,;3.18,5.29,;5.85,5.29,)|
Show InChI InChI=1S/C39H48N10O5/c1-25(50)46-31(22-30-23-43-24-45-30)35(51)47-32(20-26-9-4-3-5-10-26)37(53)48-17-18-49(38(54)33(48)13-8-16-44-39(40)41)34(36(52)42-2)21-27-14-15-28-11-6-7-12-29(28)19-27/h3-7,9-12,14-15,19,23-24,31-34H,8,13,16-18,20-22H2,1-2H3,(H,42,52)(H,43,45)(H,46,50)(H,47,51)(H4,40,41,44)/t31-,32+,33-,34-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189024
PNG
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C42H49FN8O6/c1-26(52)48-34(23-28-12-17-33(53)18-13-28)38(54)49-35(24-27-10-15-32(43)16-11-27)40(56)50-20-21-51(41(57)36(50)8-5-19-47-42(44)45)37(39(55)46-2)25-29-9-14-30-6-3-4-7-31(30)22-29/h3-4,6-7,9-18,22,34-37,53H,5,8,19-21,23-25H2,1-2H3,(H,46,55)(H,48,52)(H,49,54)(H4,44,45,47)/t34-,35+,36-,37-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189010
PNG
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C42H50N8O6/c1-27(51)47-34(24-29-15-18-33(52)19-16-29)38(53)48-35(25-28-9-4-3-5-10-28)40(55)49-21-22-50(41(56)36(49)13-8-20-46-42(43)44)37(39(54)45-2)26-30-14-17-31-11-6-7-12-32(31)23-30/h3-7,9-12,14-19,23,34-37,52H,8,13,20-22,24-26H2,1-2H3,(H,45,54)(H,47,51)(H,48,53)(H4,43,44,46)/t34-,35+,36-,37-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189013
PNG
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(3H-imida...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.43,43.54,(1.84,-9.34,;3.18,-8.56,;4.51,-9.34,;4.51,-10.88,;5.85,-8.58,;7.18,-9.35,;7.18,-10.89,;5.84,-11.66,;5.83,-13.19,;7.17,-13.96,;7.17,-15.49,;8.51,-16.27,;9.84,-15.49,;9.83,-13.95,;8.51,-13.19,;8.51,-11.65,;5.85,-7.03,;4.52,-6.26,;4.52,-4.73,;5.86,-3.95,;7.19,-4.72,;8.53,-3.94,;9.85,-4.71,;11.19,-3.94,;12.52,-4.71,;13.86,-3.94,;15.2,-4.7,;13.86,-2.4,;7.19,-6.27,;8.52,-7.04,;5.85,-2.41,;7.19,-1.65,;4.52,-1.65,;3.18,-2.41,;1.84,-1.66,;.51,-2.41,;-.83,-1.66,;-.82,-.11,;.5,.67,;1.84,-.11,;4.52,-.11,;5.85,.66,;7.2,-.11,;5.85,2.21,;7.2,2.98,;8.54,2.21,;8.7,.67,;10.21,.35,;10.99,1.69,;9.95,2.84,;4.52,2.98,;4.51,4.52,;3.18,5.29,;5.85,5.29,)|
Show InChI InChI=1S/C39H48N10O5/c1-25(50)46-31(22-30-23-43-24-45-30)35(51)47-32(20-26-9-4-3-5-10-26)37(53)48-17-18-49(38(54)33(48)13-8-16-44-39(40)41)34(36(52)42-2)21-27-14-15-28-11-6-7-12-29(28)19-27/h3-7,9-12,14-15,19,23-24,31-34H,8,13,16-18,20-22H2,1-2H3,(H,42,52)(H,43,45)(H,46,50)(H,47,51)(H4,40,41,44)/t31-,32+,33-,34-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189010
PNG
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C42H50N8O6/c1-27(51)47-34(24-29-15-18-33(52)19-16-29)38(53)48-35(25-28-9-4-3-5-10-28)40(55)49-21-22-50(41(56)36(49)13-8-20-46-42(43)44)37(39(54)45-2)26-30-14-17-31-11-6-7-12-32(31)23-30/h3-7,9-12,14-19,23,34-37,52H,8,13,20-22,24-26H2,1-2H3,(H,45,54)(H,47,51)(H,48,53)(H4,43,44,46)/t34-,35+,36-,37-/m0/s1
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1n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50189010
PNG
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C42H50N8O6/c1-27(51)47-34(24-29-15-18-33(52)19-16-29)38(53)48-35(25-28-9-4-3-5-10-28)40(55)49-21-22-50(41(56)36(49)13-8-20-46-42(43)44)37(39(54)45-2)26-30-14-17-31-11-6-7-12-32(31)23-30/h3-7,9-12,14-19,23,34-37,52H,8,13,20-22,24-26H2,1-2H3,(H,45,54)(H,47,51)(H,48,53)(H4,43,44,46)/t34-,35+,36-,37-/m0/s1
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1n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50189013
PNG
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(3H-imida...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.43,43.54,(1.84,-9.34,;3.18,-8.56,;4.51,-9.34,;4.51,-10.88,;5.85,-8.58,;7.18,-9.35,;7.18,-10.89,;5.84,-11.66,;5.83,-13.19,;7.17,-13.96,;7.17,-15.49,;8.51,-16.27,;9.84,-15.49,;9.83,-13.95,;8.51,-13.19,;8.51,-11.65,;5.85,-7.03,;4.52,-6.26,;4.52,-4.73,;5.86,-3.95,;7.19,-4.72,;8.53,-3.94,;9.85,-4.71,;11.19,-3.94,;12.52,-4.71,;13.86,-3.94,;15.2,-4.7,;13.86,-2.4,;7.19,-6.27,;8.52,-7.04,;5.85,-2.41,;7.19,-1.65,;4.52,-1.65,;3.18,-2.41,;1.84,-1.66,;.51,-2.41,;-.83,-1.66,;-.82,-.11,;.5,.67,;1.84,-.11,;4.52,-.11,;5.85,.66,;7.2,-.11,;5.85,2.21,;7.2,2.98,;8.54,2.21,;8.7,.67,;10.21,.35,;10.99,1.69,;9.95,2.84,;4.52,2.98,;4.51,4.52,;3.18,5.29,;5.85,5.29,)|
Show InChI InChI=1S/C39H48N10O5/c1-25(50)46-31(22-30-23-43-24-45-30)35(51)47-32(20-26-9-4-3-5-10-26)37(53)48-17-18-49(38(54)33(48)13-8-16-44-39(40)41)34(36(52)42-2)21-27-14-15-28-11-6-7-12-29(28)19-27/h3-7,9-12,14-15,19,23-24,31-34H,8,13,16-18,20-22H2,1-2H3,(H,42,52)(H,43,45)(H,46,50)(H,47,51)(H4,40,41,44)/t31-,32+,33-,34-/m0/s1
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1n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189025
PNG
((S)-2-acetamido-N1-((R)-3-(4-fluorophenyl)-1-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O
Show InChI InChI=1S/C38H48FN9O6/c1-23(49)45-29(15-16-33(40)50)34(51)46-30(21-24-10-13-28(39)14-11-24)36(53)47-18-19-48(37(54)31(47)8-5-17-44-38(41)42)32(35(52)43-2)22-25-9-12-26-6-3-4-7-27(26)20-25/h3-4,6-7,9-14,20,29-32H,5,8,15-19,21-22H2,1-2H3,(H2,40,50)(H,43,52)(H,45,49)(H,46,51)(H4,41,42,44)/t29-,30+,31-,32-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50189024
PNG
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C42H49FN8O6/c1-26(52)48-34(23-28-12-17-33(53)18-13-28)38(54)49-35(24-27-10-15-32(43)16-11-27)40(56)50-20-21-51(41(57)36(50)8-5-19-47-42(44)45)37(39(55)46-2)25-29-9-14-30-6-3-4-7-31(30)22-29/h3-4,6-7,9-18,22,34-37,53H,5,8,19-21,23-25H2,1-2H3,(H,46,55)(H,48,52)(H,49,54)(H4,44,45,47)/t34-,35+,36-,37-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189014
PNG
((S)-2-((S)-4-((R)-2-acetamido-3-(4-fluorophenyl)pr...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O
Show InChI InChI=1S/C33H40FN7O4/c1-21(42)39-27(19-22-10-13-26(34)14-11-22)31(44)40-16-17-41(32(45)28(40)8-5-15-38-33(35)36)29(30(43)37-2)20-23-9-12-24-6-3-4-7-25(24)18-23/h3-4,6-7,9-14,18,27-29H,5,8,15-17,19-20H2,1-2H3,(H,37,43)(H,39,42)(H4,35,36,38)/t27-,28+,29+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189023
PNG
((S)-2-((S)-4-((R)-3-(4-fluorophenyl)-2-(piperazin-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)N1CCNCC1
Show InChI InChI=1S/C35H45FN8O3/c1-39-32(45)30(23-25-8-11-26-5-2-3-6-27(26)21-25)44-20-19-43(29(33(44)46)7-4-14-41-35(37)38)34(47)31(42-17-15-40-16-18-42)22-24-9-12-28(36)13-10-24/h2-3,5-6,8-13,21,29-31,40H,4,7,14-20,22-23H2,1H3,(H,39,45)(H4,37,38,41)/t29-,30-,31+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189022
PNG
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(3H-imida...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.44,44.55,(15.61,-28.99,;16.95,-28.22,;18.29,-29,;18.28,-30.54,;19.62,-28.23,;20.95,-29.01,;20.95,-30.55,;19.61,-31.31,;19.61,-32.85,;20.94,-33.61,;20.94,-35.15,;22.28,-35.93,;23.61,-35.14,;23.6,-33.61,;22.28,-32.85,;22.28,-31.31,;19.63,-26.68,;18.29,-25.92,;18.3,-24.38,;19.63,-23.6,;20.97,-24.38,;22.3,-23.6,;23.63,-24.37,;24.96,-23.6,;26.29,-24.37,;27.63,-23.59,;28.97,-24.36,;27.63,-22.05,;20.96,-25.92,;22.29,-26.69,;19.63,-22.06,;20.96,-21.31,;18.29,-21.31,;16.95,-22.07,;15.62,-21.31,;14.28,-22.07,;12.95,-21.31,;12.95,-19.77,;11.61,-19.01,;14.28,-18.99,;15.61,-19.76,;18.29,-19.77,;19.63,-18.99,;20.97,-19.77,;19.63,-17.45,;20.97,-16.68,;22.31,-17.45,;22.47,-18.98,;23.98,-19.31,;24.76,-17.97,;23.72,-16.82,;18.29,-16.68,;18.29,-15.14,;16.95,-14.37,;19.62,-14.36,)|
Show InChI InChI=1S/C39H47FN10O5/c1-24(51)47-31(21-30-22-44-23-46-30)35(52)48-32(19-25-10-13-29(40)14-11-25)37(54)49-16-17-50(38(55)33(49)8-5-15-45-39(41)42)34(36(53)43-2)20-26-9-12-27-6-3-4-7-28(27)18-26/h3-4,6-7,9-14,18,22-23,31-34H,5,8,15-17,19-21H2,1-2H3,(H,43,53)(H,44,46)(H,47,51)(H,48,52)(H4,41,42,45)/t31-,32+,33-,34-/m0/s1
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2n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189025
PNG
((S)-2-acetamido-N1-((R)-3-(4-fluorophenyl)-1-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O
Show InChI InChI=1S/C38H48FN9O6/c1-23(49)45-29(15-16-33(40)50)34(51)46-30(21-24-10-13-28(39)14-11-24)36(53)47-18-19-48(37(54)31(47)8-5-17-44-38(41)42)32(35(52)43-2)22-25-9-12-26-6-3-4-7-27(26)20-25/h3-4,6-7,9-14,20,29-32H,5,8,15-19,21-22H2,1-2H3,(H2,40,50)(H,43,52)(H,45,49)(H,46,51)(H4,41,42,44)/t29-,30+,31-,32-/m0/s1
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2n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM85816
PNG
(NNC 11-1607)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.66,-.26,;4,.51,;5.33,-.26,;6.58,.64,;7.82,-.26,;7.35,-1.73,;5.81,-1.73,;4.72,-2.82,;4.72,-4.36,;3.38,-5.13,;2.05,-4.36,;2.05,-2.82,;3.38,-2.05,;4.15,-3.38,;2.67,-3.78,;1.33,.51,;-0,1.28,;-1.34,2.05,;-1.34,3.59,;-2.67,4.36,;-4,3.59,;-4,2.05,;-2.67,1.28,;-5.34,1.28,;-6.67,.51,;-8.01,-.26,;-9.34,.51,;-10.67,-.26,;-11.92,.64,;-13.16,-.26,;-12.69,-1.73,;-11.15,-1.73,;-10.06,-2.82,;-10.06,-4.36,;-8.73,-5.13,;-7.39,-4.36,;-7.39,-2.82,;-8.73,-2.05,;-9.5,-3.38,;-8.01,-3.78,)|
Show InChI InChI=1S/C30H32N6O2S2/c1-4-21(6-2-16-37-29-27(31-39-33-29)25-19-35-12-8-23(25)9-13-35)18-22(5-1)7-3-17-38-30-28(32-40-34-30)26-20-36-14-10-24(26)11-15-36/h1,4-5,18,23-26H,8-17,19-20H2
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2.40n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM85817
PNG
(NNC 11-1585)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.45,.06,;3.22,1.4,;4.76,1.4,;5.39,2.81,;6.92,2.64,;7.24,1.14,;5.91,.37,;5.51,-1.12,;6.28,-2.45,;5.51,-3.79,;3.97,-3.79,;3.2,-2.45,;3.97,-1.12,;5.3,-1.89,;4.21,-2.98,;.91,.06,;-.63,.06,;-2.17,.06,;-2.94,-1.27,;-4.48,-1.27,;-5.25,.06,;-4.48,1.4,;-2.94,1.4,;-6.79,.06,;-8.33,.07,;-9.87,.06,;-10.64,1.4,;-12.18,1.4,;-12.8,2.81,;-14.33,2.64,;-14.66,1.14,;-13.32,.37,;-12.92,-1.12,;-13.69,-2.45,;-12.92,-3.79,;-11.38,-3.79,;-10.61,-2.45,;-11.38,-1.12,;-12.72,-1.89,;-11.63,-2.98,)|
Show InChI InChI=1S/C30H32N6O2S2/c1(17-37-29-27(31-39-33-29)25-19-35-13-9-23(25)10-14-35)3-21-5-7-22(8-6-21)4-2-18-38-30-28(32-40-34-30)26-20-36-15-11-24(26)12-16-36/h5-8,23-26H,9-20H2
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2.57n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198573
PNG
((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
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3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50189025
PNG
((S)-2-acetamido-N1-((R)-3-(4-fluorophenyl)-1-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O
Show InChI InChI=1S/C38H48FN9O6/c1-23(49)45-29(15-16-33(40)50)34(51)46-30(21-24-10-13-28(39)14-11-24)36(53)47-18-19-48(37(54)31(47)8-5-17-44-38(41)42)32(35(52)43-2)22-25-9-12-26-6-3-4-7-27(26)20-25/h3-4,6-7,9-14,20,29-32H,5,8,15-19,21-22H2,1-2H3,(H2,40,50)(H,43,52)(H,45,49)(H,46,51)(H4,41,42,44)/t29-,30+,31-,32-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203064
PNG
((S)-4-(4-bromophenethyl)-1-(6-((diethylamino)-meth...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(Br)cc2)CC1=O
Show InChI InChI=1S/C27H36BrN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
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4n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198574
PNG
((S)-4-(4-chlorophenethyl)-1-(6-((diethylamino)-met...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(Cl)cc2)CC1=O
Show InChI InChI=1S/C27H36ClN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
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4n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189023
PNG
((S)-2-((S)-4-((R)-3-(4-fluorophenyl)-2-(piperazin-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)N1CCNCC1
Show InChI InChI=1S/C35H45FN8O3/c1-39-32(45)30(23-25-8-11-26-5-2-3-6-27(26)21-25)44-20-19-43(29(33(44)46)7-4-14-41-35(37)38)34(47)31(42-17-15-40-16-18-42)22-24-9-12-28(36)13-10-24/h2-3,5-6,8-13,21,29-31,40H,4,7,14-20,22-23H2,1H3,(H,39,45)(H4,37,38,41)/t29-,30-,31+/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM85817
PNG
(NNC 11-1585)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.45,.06,;3.22,1.4,;4.76,1.4,;5.39,2.81,;6.92,2.64,;7.24,1.14,;5.91,.37,;5.51,-1.12,;6.28,-2.45,;5.51,-3.79,;3.97,-3.79,;3.2,-2.45,;3.97,-1.12,;5.3,-1.89,;4.21,-2.98,;.91,.06,;-.63,.06,;-2.17,.06,;-2.94,-1.27,;-4.48,-1.27,;-5.25,.06,;-4.48,1.4,;-2.94,1.4,;-6.79,.06,;-8.33,.07,;-9.87,.06,;-10.64,1.4,;-12.18,1.4,;-12.8,2.81,;-14.33,2.64,;-14.66,1.14,;-13.32,.37,;-12.92,-1.12,;-13.69,-2.45,;-12.92,-3.79,;-11.38,-3.79,;-10.61,-2.45,;-11.38,-1.12,;-12.72,-1.89,;-11.63,-2.98,)|
Show InChI InChI=1S/C30H32N6O2S2/c1(17-37-29-27(31-39-33-29)25-19-35-13-9-23(25)10-14-35)3-21-5-7-22(8-6-21)4-2-18-38-30-28(32-40-34-30)26-20-36-15-11-24(26)12-16-36/h5-8,23-26H,9-20H2
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4.68n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189022
PNG
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(3H-imida...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.44,44.55,(15.61,-28.99,;16.95,-28.22,;18.29,-29,;18.28,-30.54,;19.62,-28.23,;20.95,-29.01,;20.95,-30.55,;19.61,-31.31,;19.61,-32.85,;20.94,-33.61,;20.94,-35.15,;22.28,-35.93,;23.61,-35.14,;23.6,-33.61,;22.28,-32.85,;22.28,-31.31,;19.63,-26.68,;18.29,-25.92,;18.3,-24.38,;19.63,-23.6,;20.97,-24.38,;22.3,-23.6,;23.63,-24.37,;24.96,-23.6,;26.29,-24.37,;27.63,-23.59,;28.97,-24.36,;27.63,-22.05,;20.96,-25.92,;22.29,-26.69,;19.63,-22.06,;20.96,-21.31,;18.29,-21.31,;16.95,-22.07,;15.62,-21.31,;14.28,-22.07,;12.95,-21.31,;12.95,-19.77,;11.61,-19.01,;14.28,-18.99,;15.61,-19.76,;18.29,-19.77,;19.63,-18.99,;20.97,-19.77,;19.63,-17.45,;20.97,-16.68,;22.31,-17.45,;22.47,-18.98,;23.98,-19.31,;24.76,-17.97,;23.72,-16.82,;18.29,-16.68,;18.29,-15.14,;16.95,-14.37,;19.62,-14.36,)|
Show InChI InChI=1S/C39H47FN10O5/c1-24(51)47-31(21-30-22-44-23-46-30)35(52)48-32(19-25-10-13-29(40)14-11-25)37(54)49-16-17-50(38(55)33(49)8-5-15-45-39(41)42)34(36(53)43-2)20-26-9-12-27-6-3-4-7-28(27)18-26/h3-4,6-7,9-14,18,22-23,31-34H,5,8,15-17,19-21H2,1-2H3,(H,43,53)(H,44,46)(H,47,51)(H,48,52)(H4,41,42,45)/t31-,32+,33-,34-/m0/s1
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5n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM85817
PNG
(NNC 11-1585)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.45,.06,;3.22,1.4,;4.76,1.4,;5.39,2.81,;6.92,2.64,;7.24,1.14,;5.91,.37,;5.51,-1.12,;6.28,-2.45,;5.51,-3.79,;3.97,-3.79,;3.2,-2.45,;3.97,-1.12,;5.3,-1.89,;4.21,-2.98,;.91,.06,;-.63,.06,;-2.17,.06,;-2.94,-1.27,;-4.48,-1.27,;-5.25,.06,;-4.48,1.4,;-2.94,1.4,;-6.79,.06,;-8.33,.07,;-9.87,.06,;-10.64,1.4,;-12.18,1.4,;-12.8,2.81,;-14.33,2.64,;-14.66,1.14,;-13.32,.37,;-12.92,-1.12,;-13.69,-2.45,;-12.92,-3.79,;-11.38,-3.79,;-10.61,-2.45,;-11.38,-1.12,;-12.72,-1.89,;-11.63,-2.98,)|
Show InChI InChI=1S/C30H32N6O2S2/c1(17-37-29-27(31-39-33-29)25-19-35-13-9-23(25)10-14-35)3-21-5-7-22(8-6-21)4-2-18-38-30-28(32-40-34-30)26-20-36-15-11-24(26)12-16-36/h5-8,23-26H,9-20H2
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5.25n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189009
PNG
((S)-2-((S)-4-(3-(4-fluorophenyl)propanoyl)-3-(3-gu...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6]-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C31H37FN6O3/c1-35-29(40)27(20-22-8-12-23-5-2-3-6-24(23)19-22)38-18-17-37(26(30(38)41)7-4-16-36-31(33)34)28(39)15-11-21-9-13-25(32)14-10-21/h2-3,5-6,8-10,12-14,19,26-27H,4,7,11,15-18,20H2,1H3,(H,35,40)(H4,33,34,36)/t26-,27-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189011
PNG
((S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1
Show InChI InChI=1S/C31H39N7O3/c1-35-28(39)27(20-22-13-14-23-10-5-6-11-24(23)18-22)38-17-16-37(26(30(38)41)12-7-15-36-31(33)34)29(40)25(32)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18,25-27H,7,12,15-17,19-20,32H2,1H3,(H,35,39)(H4,33,34,36)/t25-,26+,27+/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM85816
PNG
(NNC 11-1607)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.66,-.26,;4,.51,;5.33,-.26,;6.58,.64,;7.82,-.26,;7.35,-1.73,;5.81,-1.73,;4.72,-2.82,;4.72,-4.36,;3.38,-5.13,;2.05,-4.36,;2.05,-2.82,;3.38,-2.05,;4.15,-3.38,;2.67,-3.78,;1.33,.51,;-0,1.28,;-1.34,2.05,;-1.34,3.59,;-2.67,4.36,;-4,3.59,;-4,2.05,;-2.67,1.28,;-5.34,1.28,;-6.67,.51,;-8.01,-.26,;-9.34,.51,;-10.67,-.26,;-11.92,.64,;-13.16,-.26,;-12.69,-1.73,;-11.15,-1.73,;-10.06,-2.82,;-10.06,-4.36,;-8.73,-5.13,;-7.39,-4.36,;-7.39,-2.82,;-8.73,-2.05,;-9.5,-3.38,;-8.01,-3.78,)|
Show InChI InChI=1S/C30H32N6O2S2/c1-4-21(6-2-16-37-29-27(31-39-33-29)25-19-35-12-8-23(25)9-13-35)18-22(5-1)7-3-17-38-30-28(32-40-34-30)26-20-36-14-10-24(26)11-15-36/h1,4-5,18,23-26H,8-17,19-20H2
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5.75n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189021
PNG
(CHEMBL215895 | N-((R)-3-(4-fluorophenyl)-1-((S)-2-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1Cc2ccccc2CN1
Show InChI InChI=1S/C41H47FN8O4/c1-45-38(52)36(23-27-12-15-28-7-2-3-8-29(28)21-27)50-20-19-49(35(40(50)54)11-6-18-46-41(43)44)39(53)34(22-26-13-16-32(42)17-14-26)48-37(51)33-24-30-9-4-5-10-31(30)25-47-33/h2-5,7-10,12-17,21,33-36,47H,6,11,18-20,22-25H2,1H3,(H,45,52)(H,48,51)(H4,43,44,46)/t33?,34-,35+,36+/m1/s1
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6n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM85816
PNG
(NNC 11-1607)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.66,-.26,;4,.51,;5.33,-.26,;6.58,.64,;7.82,-.26,;7.35,-1.73,;5.81,-1.73,;4.72,-2.82,;4.72,-4.36,;3.38,-5.13,;2.05,-4.36,;2.05,-2.82,;3.38,-2.05,;4.15,-3.38,;2.67,-3.78,;1.33,.51,;-0,1.28,;-1.34,2.05,;-1.34,3.59,;-2.67,4.36,;-4,3.59,;-4,2.05,;-2.67,1.28,;-5.34,1.28,;-6.67,.51,;-8.01,-.26,;-9.34,.51,;-10.67,-.26,;-11.92,.64,;-13.16,-.26,;-12.69,-1.73,;-11.15,-1.73,;-10.06,-2.82,;-10.06,-4.36,;-8.73,-5.13,;-7.39,-4.36,;-7.39,-2.82,;-8.73,-2.05,;-9.5,-3.38,;-8.01,-3.78,)|
Show InChI InChI=1S/C30H32N6O2S2/c1-4-21(6-2-16-37-29-27(31-39-33-29)25-19-35-12-8-23(25)9-13-35)18-22(5-1)7-3-17-38-30-28(32-40-34-30)26-20-36-14-10-24(26)11-15-36/h1,4-5,18,23-26H,8-17,19-20H2
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6.03n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203054
PNG
(4'-fluoro-biphenyl-4-carboxylic acid [2-(4-dimethy...)
Show SMILES CN(C)Cc1ccc(CCN(C)C(=O)c2ccc(cc2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H27FN2O/c1-27(2)18-20-6-4-19(5-7-20)16-17-28(3)25(29)23-10-8-21(9-11-23)22-12-14-24(26)15-13-22/h4-15H,16-18H2,1-3H3
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7n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50189014
PNG
((S)-2-((S)-4-((R)-2-acetamido-3-(4-fluorophenyl)pr...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O
Show InChI InChI=1S/C33H40FN7O4/c1-21(42)39-27(19-22-10-13-26(34)14-11-22)31(44)40-16-17-41(32(45)28(40)8-5-15-38-33(35)36)29(30(43)37-2)20-23-9-12-24-6-3-4-7-25(24)18-23/h3-4,6-7,9-14,18,27-29H,5,8,15-17,19-20H2,1-2H3,(H,37,43)(H,39,42)(H4,35,36,38)/t27-,28+,29+/m1/s1
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7n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189019
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1
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7n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192169
PNG
((R)-3,5-dimethoxy-N-(1-(naphthalen-2-ylmethyl)pyrr...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1CCN(Cc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C24H26N2O3/c1-28-22-12-20(13-23(14-22)29-2)24(27)25-21-9-10-26(16-21)15-17-7-8-18-5-3-4-6-19(18)11-17/h3-8,11-14,21H,9-10,15-16H2,1-2H3,(H,25,27)/t21-/m1/s1
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7n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50241095
PNG
((S)-N-(6-((dimethylamino)methyl)-1,2,3,4-tetrahydr...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H29FN2O/c1-29(2)18-19-4-5-24-17-26(15-12-23(24)16-19)30(3)27(31)22-8-6-20(7-9-22)21-10-13-25(28)14-11-21/h4-11,13-14,16,26H,12,15,17-18H2,1-3H3/t26-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM85816
PNG
(NNC 11-1607)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.66,-.26,;4,.51,;5.33,-.26,;6.58,.64,;7.82,-.26,;7.35,-1.73,;5.81,-1.73,;4.72,-2.82,;4.72,-4.36,;3.38,-5.13,;2.05,-4.36,;2.05,-2.82,;3.38,-2.05,;4.15,-3.38,;2.67,-3.78,;1.33,.51,;-0,1.28,;-1.34,2.05,;-1.34,3.59,;-2.67,4.36,;-4,3.59,;-4,2.05,;-2.67,1.28,;-5.34,1.28,;-6.67,.51,;-8.01,-.26,;-9.34,.51,;-10.67,-.26,;-11.92,.64,;-13.16,-.26,;-12.69,-1.73,;-11.15,-1.73,;-10.06,-2.82,;-10.06,-4.36,;-8.73,-5.13,;-7.39,-4.36,;-7.39,-2.82,;-8.73,-2.05,;-9.5,-3.38,;-8.01,-3.78,)|
Show InChI InChI=1S/C30H32N6O2S2/c1-4-21(6-2-16-37-29-27(31-39-33-29)25-19-35-12-8-23(25)9-13-35)18-22(5-1)7-3-17-38-30-28(32-40-34-30)26-20-36-14-10-24(26)11-15-36/h1,4-5,18,23-26H,8-17,19-20H2
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8.13n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM85816
PNG
(NNC 11-1607)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.66,-.26,;4,.51,;5.33,-.26,;6.58,.64,;7.82,-.26,;7.35,-1.73,;5.81,-1.73,;4.72,-2.82,;4.72,-4.36,;3.38,-5.13,;2.05,-4.36,;2.05,-2.82,;3.38,-2.05,;4.15,-3.38,;2.67,-3.78,;1.33,.51,;-0,1.28,;-1.34,2.05,;-1.34,3.59,;-2.67,4.36,;-4,3.59,;-4,2.05,;-2.67,1.28,;-5.34,1.28,;-6.67,.51,;-8.01,-.26,;-9.34,.51,;-10.67,-.26,;-11.92,.64,;-13.16,-.26,;-12.69,-1.73,;-11.15,-1.73,;-10.06,-2.82,;-10.06,-4.36,;-8.73,-5.13,;-7.39,-4.36,;-7.39,-2.82,;-8.73,-2.05,;-9.5,-3.38,;-8.01,-3.78,)|
Show InChI InChI=1S/C30H32N6O2S2/c1-4-21(6-2-16-37-29-27(31-39-33-29)25-19-35-12-8-23(25)9-13-35)18-22(5-1)7-3-17-38-30-28(32-40-34-30)26-20-36-14-10-24(26)11-15-36/h1,4-5,18,23-26H,8-17,19-20H2
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8.13n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192189
PNG
(3,4,5-trifluoro-N-(1-(naphthalen-2-ylmethyl)piperi...)
Show SMILES Fc1cc(cc(F)c1F)C(=O)NC1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C23H21F3N2O/c24-20-12-18(13-21(25)22(20)26)23(29)27-19-7-9-28(10-8-19)14-15-5-6-16-3-1-2-4-17(16)11-15/h1-6,11-13,19H,7-10,14H2,(H,27,29)
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9n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM85816
PNG
(NNC 11-1607)
Show SMILES C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.66,-.26,;4,.51,;5.33,-.26,;6.58,.64,;7.82,-.26,;7.35,-1.73,;5.81,-1.73,;4.72,-2.82,;4.72,-4.36,;3.38,-5.13,;2.05,-4.36,;2.05,-2.82,;3.38,-2.05,;4.15,-3.38,;2.67,-3.78,;1.33,.51,;-0,1.28,;-1.34,2.05,;-1.34,3.59,;-2.67,4.36,;-4,3.59,;-4,2.05,;-2.67,1.28,;-5.34,1.28,;-6.67,.51,;-8.01,-.26,;-9.34,.51,;-10.67,-.26,;-11.92,.64,;-13.16,-.26,;-12.69,-1.73,;-11.15,-1.73,;-10.06,-2.82,;-10.06,-4.36,;-8.73,-5.13,;-7.39,-4.36,;-7.39,-2.82,;-8.73,-2.05,;-9.5,-3.38,;-8.01,-3.78,)|
Show InChI InChI=1S/C30H32N6O2S2/c1-4-21(6-2-16-37-29-27(31-39-33-29)25-19-35-12-8-23(25)9-13-35)18-22(5-1)7-3-17-38-30-28(32-40-34-30)26-20-36-14-10-24(26)11-15-36/h1,4-5,18,23-26H,8-17,19-20H2
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9.55n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 1260-8 (2001)


BindingDB Entry DOI: 10.7270/Q26M35D8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203063
PNG
((S)-4-(3-fluorophenethyl)-1-(6-((diethylamino)-met...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2cccc(F)c2)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-8-9-24-18-26(11-10-23(24)16-22)31-15-14-30(20-27(31)32)13-12-21-6-5-7-25(28)17-21/h5-9,16-17,26H,3-4,10-15,18-20H2,1-2H3/t26-/m0/s1
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10n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50200748
PNG
(1-(4-(piperidin-1-ylmethyl)phenethyl)-4-phenethylp...)
Show SMILES O=C1CN(CCc2ccccc2)CCN1CCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H35N3O/c30-26-22-28(17-13-23-7-3-1-4-8-23)19-20-29(26)18-14-24-9-11-25(12-10-24)21-27-15-5-2-6-16-27/h1,3-4,7-12H,2,5-6,13-22H2
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11n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189008
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C30H36FN7O3/c1-35-27(39)26(18-20-6-9-21-4-2-3-5-22(21)16-20)38-15-14-37(25(29(38)41)12-13-36-30(33)34)28(40)24(32)17-19-7-10-23(31)11-8-19/h2-11,16,24-26H,12-15,17-18,32H2,1H3,(H,35,39)(H4,33,34,36)/t24-,25+,26+/m1/s1
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11n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198501
PNG
((S)-5-(4-chlorophenyl)-N-(6-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClN3O/c1-29(2)17-18-4-5-21-15-24(12-8-20(21)14-18)30(3)26(31)25-13-9-22(16-28-25)19-6-10-23(27)11-7-19/h4-7,9-11,13-14,16,24H,8,12,15,17H2,1-3H3/t24-/m0/s1
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11n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168507
PNG
((E)-N-(1-cinnamylpiperidin-4-yl)-3,5-dimethoxybenz...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C23H28N2O3/c1-27-21-15-19(16-22(17-21)28-2)23(26)24-20-10-13-25(14-11-20)12-6-9-18-7-4-3-5-8-18/h3-9,15-17,20H,10-14H2,1-2H3,(H,24,26)/b9-6+
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12n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203055
PNG
((S)-4-(2-fluorophenethyl)-1-(6-((diethylamino)-met...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccccc2F)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-21-9-10-24-18-25(12-11-23(24)17-21)31-16-15-30(20-27(31)32)14-13-22-7-5-6-8-26(22)28/h5-10,17,25H,3-4,11-16,18-20H2,1-2H3/t25-/m0/s1
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12n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192178
PNG
(3,5-dimethoxy-N-((3R)-1-(1-(naphthalen-2-yl)ethyl)...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1CCN(C1)C(C)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H28N2O3/c1-17(19-9-8-18-6-4-5-7-20(18)12-19)27-11-10-22(16-27)26-25(28)21-13-23(29-2)15-24(14-21)30-3/h4-9,12-15,17,22H,10-11,16H2,1-3H3,(H,26,28)/t17?,22-/m1/s1
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12n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198502
PNG
((S)-6-(4-chlorophenyl)-N-(6-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(nc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClN3O/c1-29(2)17-18-4-5-21-15-24(12-8-20(21)14-18)30(3)26(31)22-9-13-25(28-16-22)19-6-10-23(27)11-7-19/h4-7,9-11,13-14,16,24H,8,12,15,17H2,1-3H3/t24-/m0/s1
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12n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 814-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.053
BindingDB Entry DOI: 10.7270/Q2R2111C
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192174
PNG
(4-fluoro-3-methoxy-N-(1-(naphthalen-2-ylmethyl)pip...)
Show SMILES COc1cc(ccc1F)C(=O)NC1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H25FN2O2/c1-29-23-15-20(8-9-22(23)25)24(28)26-21-10-12-27(13-11-21)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-9,14-15,21H,10-13,16H2,1H3,(H,26,28)
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13n/an/an/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5445-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.053
BindingDB Entry DOI: 10.7270/Q2CR5T0F
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189018
PNG
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-y...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:4.17,wD:30.40,41.51,19.28,(25,.39,;23.66,1.16,;22.33,.39,;22.33,-1.16,;20.99,1.16,;20.99,2.69,;22.33,3.47,;23.66,2.69,;24.99,3.46,;25,5,;26.33,5.78,;26.33,7.33,;24.97,8.09,;23.64,7.31,;23.65,5.77,;22.33,5,;19.66,.39,;18.33,1.16,;18.33,2.69,;16.99,.39,;16.99,-1.16,;18.33,-1.92,;18.33,-3.47,;19.66,-4.23,;19.66,-5.77,;20.99,-6.54,;18.33,-6.54,;15.66,1.16,;14.33,.39,;14.33,-1.16,;12.99,1.16,;12.99,2.69,;14.33,3.47,;15.66,2.69,;16.99,3.46,;16.99,5,;15.65,5.77,;14.32,4.99,;11.66,.39,;10.32,1.16,;10.32,2.69,;8.99,.39,;8.99,-1.16,;10.32,-1.93,;10.29,-3.46,;11.75,-3.97,;12.68,-2.74,;11.8,-1.47,;7.66,1.16,;6.32,.39,;4.99,1.16,;6.32,-1.16,)|
Show InChI InChI=1S/C37H46N10O5/c1-23(48)44-32(20-28-21-41-22-43-28)36(52)47-31(18-24-9-4-3-5-10-24)35(51)45-29(13-8-16-42-37(38)39)34(50)46-30(33(49)40-2)19-25-14-15-26-11-6-7-12-27(26)17-25/h3-7,9-12,14-15,17,21-22,29-32H,8,13,16,18-20H2,1-2H3,(H,40,49)(H,41,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,42)/t29-,30-,31+,32-/m0/s1
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13n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189024
PNG
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C42H49FN8O6/c1-26(52)48-34(23-28-12-17-33(53)18-13-28)38(54)49-35(24-27-10-15-32(43)16-11-27)40(56)50-20-21-51(41(57)36(50)8-5-19-47-42(44)45)37(39(55)46-2)25-29-9-14-30-6-3-4-7-31(30)22-29/h3-4,6-7,9-18,22,34-37,53H,5,8,19-21,23-25H2,1-2H3,(H,46,55)(H,48,52)(H,49,54)(H4,44,45,47)/t34-,35+,36-,37-/m0/s1
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14n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
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