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Compile Data Set for Download or QSAR

Found 5238 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor 1'   
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))
BDBM50295693
PNG
((6S,9S,12S,15S,18S,21S)-1,21-diamino-6-((3R,8R,11S...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)CN[C@@H](Cc1ccc(O)cc1)C(O)=O |r,wU:27.28,36.36,71.73,148.153,55.55,60.134,8.12,wD:112.115,4.4,97.100,93.131,82.84,16.24,134.137,44.44,64.69,156.161,120.123,(5.27,-20.83,;6.6,-20.06,;6.6,-18.52,;5.27,-17.75,;5.27,-16.21,;3.93,-15.44,;2.6,-16.21,;2.6,-17.75,;1.27,-15.44,;1.27,-13.9,;2.6,-13.13,;3.93,-13.9,;2.6,-11.59,;-.07,-16.21,;-1.4,-15.44,;-1.4,-13.9,;-2.73,-16.21,;-2.73,-17.75,;-1.4,-18.52,;-.07,-17.74,;1.27,-18.51,;1.27,-20.05,;-.08,-20.82,;-1.4,-20.05,;-4.07,-15.44,;-5.4,-16.21,;-5.4,-17.75,;-6.74,-15.44,;-8.07,-16.21,;-6.74,-13.9,;-8.07,-13.13,;-8.07,-11.59,;-9.4,-13.9,;6.6,-15.44,;6.6,-13.9,;7.93,-16.21,;9.27,-15.44,;9.27,-13.9,;10.6,-13.13,;10.6,-11.59,;11.94,-13.9,;10.6,-16.21,;10.6,-17.75,;11.94,-15.44,;13.27,-16.21,;13.27,-17.75,;11.94,-18.52,;11.94,-20.06,;10.6,-20.83,;10.6,-22.37,;9.27,-23.14,;11.94,-23.14,;14.6,-15.44,;14.6,-13.9,;15.94,-16.21,;17.27,-15.44,;17.27,-13.9,;15.94,-13.13,;15.71,-11.29,;14.63,-10.2,;15.04,-8.71,;16.59,-8.74,;17.38,-7.41,;18.92,-7.43,;16.62,-6.07,;15.22,-6.04,;14.79,-4.38,;16.14,-3.62,;17.27,-4.66,;18.6,-3.89,;18.6,-2.35,;19.94,-4.66,;19.94,-6.2,;21.27,-6.97,;21.27,-8.51,;19.94,-9.28,;19.94,-10.82,;18.6,-11.59,;21.27,-11.59,;21.27,-3.89,;22.61,-4.66,;22.61,-6.2,;23.94,-3.89,;23.94,-2.35,;22.61,-1.58,;22.61,-.04,;21.28,.73,;19.95,-.04,;19.95,-1.59,;21.27,-2.35,;25.27,-4.66,;26.61,-3.89,;26.61,-2.35,;27.94,-4.66,;27.94,-6.2,;26.61,-6.97,;25.27,-6.2,;26.61,-8.51,;27.94,-9.28,;27.94,-10.82,;29.27,-11.59,;29.27,-13.13,;30.61,-13.9,;31.94,-13.13,;30.61,-15.44,;25.27,-9.28,;25.27,-10.82,;23.94,-11.59,;26.61,-11.59,;26.61,-13.13,;25.27,-13.9,;23.94,-13.13,;25.27,-15.44,;26.61,-16.21,;26.61,-17.75,;27.94,-18.52,;25.27,-18.52,;23.94,-16.21,;22.61,-15.44,;22.61,-13.9,;21.27,-16.21,;21.27,-17.75,;19.94,-18.52,;19.94,-20.06,;18.6,-20.83,;19.94,-15.44,;18.6,-16.21,;18.6,-17.75,;29.27,-3.89,;30.61,-4.66,;29.27,-2.35,;13.71,-7.94,;13.71,-6.4,;12.38,-8.71,;11.04,-7.94,;11.05,-6.4,;9.71,-5.63,;8.29,-6.29,;7.28,-5.11,;8.05,-3.78,;7.58,-2.33,;8.6,-1.2,;10.11,-1.52,;10.57,-2.98,;9.54,-4.11,;9.71,-8.71,;9.71,-10.25,;8.38,-7.93,;7.04,-8.7,;7.04,-10.24,;5.71,-11.01,;5.7,-12.55,;7.19,-12.94,;5.3,-14.03,;5.71,-7.93,;4.38,-8.7,;3.04,-7.93,;3.04,-6.39,;1.71,-5.62,;1.72,-4.07,;.39,-3.3,;-.95,-4.07,;-2.28,-3.3,;-.94,-5.62,;.39,-6.38,;1.71,-8.7,;.38,-7.92,;1.71,-10.24,)|
Show InChI InChI=1S/C109H162N30O25S4/c1-58(2)45-75-91(148)123-55-86(142)125-70(27-17-39-118-107(112)113)95(152)138-89(60(5)6)104(161)135-78(48-62-23-13-10-14-24-62)98(155)129-74(29-19-41-120-109(116)117)105(162)139-42-20-30-84(139)103(160)137-83(102(159)133-79(50-64-53-121-69-26-16-15-25-67(64)69)96(153)124-65(33-36-85(111)141)54-122-81(106(163)164)49-63-31-34-66(140)35-32-63)57-168-167-56-82(101(158)128-73(38-44-166-8)93(150)131-75)136-92(149)71(28-18-40-119-108(114)115)126-97(154)76(46-59(3)4)132-94(151)72(37-43-165-7)127-100(157)80(52-88(145)146)134-99(156)77(47-61-21-11-9-12-22-61)130-90(147)68(110)51-87(143)144/h9-16,21-26,31-32,34-35,53,58-60,65,68,70-84,89,121-122,140H,17-20,27-30,33,36-52,54-57,110H2,1-8H3,(H2,111,141)(H,123,148)(H,124,153)(H,125,142)(H,126,154)(H,127,157)(H,128,158)(H,129,155)(H,130,147)(H,131,150)(H,132,151)(H,133,159)(H,134,156)(H,135,161)(H,136,149)(H,137,160)(H,138,152)(H,143,144)(H,145,146)(H,163,164)(H4,112,113,118)(H4,114,115,119)(H4,116,117,120)/t65-,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-/m0/s1
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UniChem
Article
PubMed
0.0340n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)amino)-2-oxoethyl)-3-oxopip...


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50295693
PNG
((6S,9S,12S,15S,18S,21S)-1,21-diamino-6-((3R,8R,11S...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)CN[C@@H](Cc1ccc(O)cc1)C(O)=O |r,wU:27.28,36.36,71.73,148.153,55.55,60.134,8.12,wD:112.115,4.4,97.100,93.131,82.84,16.24,134.137,44.44,64.69,156.161,120.123,(5.27,-20.83,;6.6,-20.06,;6.6,-18.52,;5.27,-17.75,;5.27,-16.21,;3.93,-15.44,;2.6,-16.21,;2.6,-17.75,;1.27,-15.44,;1.27,-13.9,;2.6,-13.13,;3.93,-13.9,;2.6,-11.59,;-.07,-16.21,;-1.4,-15.44,;-1.4,-13.9,;-2.73,-16.21,;-2.73,-17.75,;-1.4,-18.52,;-.07,-17.74,;1.27,-18.51,;1.27,-20.05,;-.08,-20.82,;-1.4,-20.05,;-4.07,-15.44,;-5.4,-16.21,;-5.4,-17.75,;-6.74,-15.44,;-8.07,-16.21,;-6.74,-13.9,;-8.07,-13.13,;-8.07,-11.59,;-9.4,-13.9,;6.6,-15.44,;6.6,-13.9,;7.93,-16.21,;9.27,-15.44,;9.27,-13.9,;10.6,-13.13,;10.6,-11.59,;11.94,-13.9,;10.6,-16.21,;10.6,-17.75,;11.94,-15.44,;13.27,-16.21,;13.27,-17.75,;11.94,-18.52,;11.94,-20.06,;10.6,-20.83,;10.6,-22.37,;9.27,-23.14,;11.94,-23.14,;14.6,-15.44,;14.6,-13.9,;15.94,-16.21,;17.27,-15.44,;17.27,-13.9,;15.94,-13.13,;15.71,-11.29,;14.63,-10.2,;15.04,-8.71,;16.59,-8.74,;17.38,-7.41,;18.92,-7.43,;16.62,-6.07,;15.22,-6.04,;14.79,-4.38,;16.14,-3.62,;17.27,-4.66,;18.6,-3.89,;18.6,-2.35,;19.94,-4.66,;19.94,-6.2,;21.27,-6.97,;21.27,-8.51,;19.94,-9.28,;19.94,-10.82,;18.6,-11.59,;21.27,-11.59,;21.27,-3.89,;22.61,-4.66,;22.61,-6.2,;23.94,-3.89,;23.94,-2.35,;22.61,-1.58,;22.61,-.04,;21.28,.73,;19.95,-.04,;19.95,-1.59,;21.27,-2.35,;25.27,-4.66,;26.61,-3.89,;26.61,-2.35,;27.94,-4.66,;27.94,-6.2,;26.61,-6.97,;25.27,-6.2,;26.61,-8.51,;27.94,-9.28,;27.94,-10.82,;29.27,-11.59,;29.27,-13.13,;30.61,-13.9,;31.94,-13.13,;30.61,-15.44,;25.27,-9.28,;25.27,-10.82,;23.94,-11.59,;26.61,-11.59,;26.61,-13.13,;25.27,-13.9,;23.94,-13.13,;25.27,-15.44,;26.61,-16.21,;26.61,-17.75,;27.94,-18.52,;25.27,-18.52,;23.94,-16.21,;22.61,-15.44,;22.61,-13.9,;21.27,-16.21,;21.27,-17.75,;19.94,-18.52,;19.94,-20.06,;18.6,-20.83,;19.94,-15.44,;18.6,-16.21,;18.6,-17.75,;29.27,-3.89,;30.61,-4.66,;29.27,-2.35,;13.71,-7.94,;13.71,-6.4,;12.38,-8.71,;11.04,-7.94,;11.05,-6.4,;9.71,-5.63,;8.29,-6.29,;7.28,-5.11,;8.05,-3.78,;7.58,-2.33,;8.6,-1.2,;10.11,-1.52,;10.57,-2.98,;9.54,-4.11,;9.71,-8.71,;9.71,-10.25,;8.38,-7.93,;7.04,-8.7,;7.04,-10.24,;5.71,-11.01,;5.7,-12.55,;7.19,-12.94,;5.3,-14.03,;5.71,-7.93,;4.38,-8.7,;3.04,-7.93,;3.04,-6.39,;1.71,-5.62,;1.72,-4.07,;.39,-3.3,;-.95,-4.07,;-2.28,-3.3,;-.94,-5.62,;.39,-6.38,;1.71,-8.7,;.38,-7.92,;1.71,-10.24,)|
Show InChI InChI=1S/C109H162N30O25S4/c1-58(2)45-75-91(148)123-55-86(142)125-70(27-17-39-118-107(112)113)95(152)138-89(60(5)6)104(161)135-78(48-62-23-13-10-14-24-62)98(155)129-74(29-19-41-120-109(116)117)105(162)139-42-20-30-84(139)103(160)137-83(102(159)133-79(50-64-53-121-69-26-16-15-25-67(64)69)96(153)124-65(33-36-85(111)141)54-122-81(106(163)164)49-63-31-34-66(140)35-32-63)57-168-167-56-82(101(158)128-73(38-44-166-8)93(150)131-75)136-92(149)71(28-18-40-119-108(114)115)126-97(154)76(46-59(3)4)132-94(151)72(37-43-165-7)127-100(157)80(52-88(145)146)134-99(156)77(47-61-21-11-9-12-22-61)130-90(147)68(110)51-87(143)144/h9-16,21-26,31-32,34-35,53,58-60,65,68,70-84,89,121-122,140H,17-20,27-30,33,36-52,54-57,110H2,1-8H3,(H2,111,141)(H,123,148)(H,124,153)(H,125,142)(H,126,154)(H,127,157)(H,128,158)(H,129,155)(H,130,147)(H,131,150)(H,132,151)(H,133,159)(H,134,156)(H,135,161)(H,136,149)(H,137,160)(H,138,152)(H,143,144)(H,145,146)(H,163,164)(H4,112,113,118)(H4,114,115,119)(H4,116,117,120)/t65-,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-/m0/s1
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0.0520n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)amino)-2-oxoethyl)-3-oxopip...


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM85951
PNG
(hAc-MCH(6-16)-NH2)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6]-1=O)-[#6](-[#6])-[#6])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C58H97N21O13S3/c1-30(2)25-39-47(84)69-27-44(82)71-36(12-8-21-67-57(62)63)50(87)78-45(31(3)4)54(91)75-40(26-33-15-17-34(81)18-16-33)51(88)73-38(13-9-22-68-58(64)65)55(92)79-23-10-14-43(79)53(90)76-41(46(59)83)28-94-95-29-42(52(89)72-37(19-24-93-6)49(86)74-39)77-48(85)35(70-32(5)80)11-7-20-66-56(60)61/h15-18,30-31,35-43,45,81H,7-14,19-29H2,1-6H3,(H2,59,83)(H,69,84)(H,70,80)(H,71,82)(H,72,89)(H,73,88)(H,74,86)(H,75,91)(H,76,90)(H,77,85)(H,78,87)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)
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0.160n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Biochemistry 41: 6383-90 (2002)


Article DOI: 10.1021/acs.biochem.6b00023
BindingDB Entry DOI: 10.7270/Q23N21ZT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM85788
PNG
(MCH | hMCH)
Show SMILES CSCCC(NC(=O)C(CC(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC1CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCSC)NC1=O)C(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)C)C(O)=O |(16.32,9.48,;17.66,10.25,;18.99,9.48,;20.32,10.25,;21.66,9.48,;22.99,10.25,;22.99,11.79,;21.66,12.56,;24.33,12.56,;24.33,14.1,;23.24,15.19,;23.63,16.68,;21.75,14.79,;25.66,11.79,;26.99,12.56,;26.99,14.1,;28.33,11.79,;28.33,10.25,;29.66,9.48,;29.66,7.94,;30.99,7.17,;32.33,7.94,;32.33,9.48,;30.99,10.25,;29.66,12.56,;31.15,12.16,;31.55,10.67,;32.48,12.93,;33.81,12.16,;32.48,14.47,;33.81,15.24,;33.81,16.78,;35.3,14.84,;21.66,7.94,;22.99,7.17,;20.32,7.17,;20.32,5.63,;18.99,4.86,;18.99,3.32,;17.66,2.55,;20.32,2.55,;21.66,4.86,;22.99,5.63,;21.66,3.32,;22.99,2.55,;24.33,3.32,;24.33,4.86,;25.66,5.63,;25.66,7.17,;26.99,7.94,;26.99,9.48,;28.33,7.17,;22.99,1.01,;21.66,.24,;24.33,.24,;24.33,-1.3,;22.99,-2.07,;21.66,-1.3,;20.32,-2.07,;20.32,-3.61,;18.99,-4.38,;18.99,-5.92,;17.66,-6.69,;16.12,-6.69,;17.66,-8.23,;16.52,-9.26,;17.15,-10.66,;18.67,-10.5,;18.99,-9,;20.32,-8.23,;21.09,-6.9,;21.66,-9,;21.66,-10.54,;20.32,-11.31,;20.32,-12.85,;18.99,-13.62,;18.99,-15.16,;17.66,-15.93,;20.32,-15.93,;22.99,-8.23,;24.33,-9,;24.33,-10.54,;25.66,-8.23,;26.99,-9,;26.99,-10.54,;25.66,-11.31,;25.66,-12.85,;26.99,-13.62,;26.99,-15.16,;28.33,-12.85,;28.33,-11.31,;25.66,-6.69,;26.99,-5.92,;26.99,-4.38,;28.33,-6.69,;29.66,-5.92,;30.99,-6.69,;30.99,-8.23,;32.33,-5.92,;33.66,-6.69,;33.66,-8.23,;34.99,-9,;34.99,-10.54,;36.33,-11.31,;36.33,-12.85,;37.66,-10.54,;32.33,-4.38,;33.66,-3.61,;34.99,-4.38,;33.66,-2.07,;32.33,-1.3,;32.33,.24,;33.66,1.01,;30.99,1.01,;30.99,2.55,;32.33,3.32,;32.33,4.86,;33.66,2.55,;29.66,.24,;28.33,1.01,;28.33,2.55,;26.99,.24,;25.81,1.23,;26.08,2.75,;27.53,3.27,;27.8,4.79,;26.99,-1.3,;25.66,-2.07,;25.66,-3.61,;28.33,-8.23,;29.66,-9,;28.33,-9.77,;17.66,-3.61,;17.66,-2.07,;16.32,-4.38,;14.99,-3.61,;14.99,-2.07,;13.66,-1.3,;12.26,-1.93,;11.23,-.79,;11.99,.54,;11.51,2,;12.54,3.15,;14.05,2.83,;14.53,1.37,;13.5,.22,;13.66,-4.38,;13.66,-5.92,;12.12,-3.61,;10.78,-4.38,;10.78,-5.92,;9.45,-6.69,;9.45,-8.23,;8.11,-9,;10.78,-9,;9.45,-3.61,;9.45,-2.07,;7.91,-4.38,;6.57,-3.61,;6.57,-2.07,;5.24,-1.3,;7.91,-1.3,;5.24,-4.38,;3.91,-3.61,;5.24,-5.92,)|
Show InChI InChI=1S/C105H160N30O26S4/c1-53(2)42-70-86(144)118-50-80(138)119-64(24-16-36-114-103(108)109)90(148)133-83(55(5)6)100(158)130-73(45-58-28-30-60(136)31-29-58)93(151)124-69(26-18-38-116-105(112)113)101(159)135-39-19-27-78(135)99(157)132-77(98(156)128-74(46-59-49-117-63-23-15-14-22-61(59)63)95(153)121-66(32-33-79(107)137)91(149)134-84(56(7)8)102(160)161)52-165-164-51-76(97(155)123-68(35-41-163-10)88(146)126-70)131-87(145)65(25-17-37-115-104(110)111)120-92(150)71(43-54(3)4)127-89(147)67(34-40-162-9)122-96(154)75(48-82(141)142)129-94(152)72(44-57-20-12-11-13-21-57)125-85(143)62(106)47-81(139)140/h11-15,20-23,28-31,49,53-56,62,64-78,83-84,117,136H,16-19,24-27,32-48,50-52,106H2,1-10H3,(H2,107,137)(H,118,144)(H,119,138)(H,120,150)(H,121,153)(H,122,154)(H,123,155)(H,124,151)(H,125,143)(H,126,146)(H,127,147)(H,128,156)(H,129,152)(H,130,158)(H,131,145)(H,132,157)(H,133,148)(H,134,149)(H,139,140)(H,141,142)(H,160,161)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)
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0.170n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Biochemistry 41: 6383-90 (2002)


Article DOI: 10.1021/acs.biochem.6b00023
BindingDB Entry DOI: 10.7270/Q23N21ZT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169371
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-cyclopropylmethyl-...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC3CC3)CC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C30H30Cl2N4O/c31-26-15-27(32)17-28(16-26)35-29(37)34-20-30(10-12-36(13-11-30)19-21-4-5-21)25-8-6-23(7-9-25)24-3-1-2-22(14-24)18-33/h1-3,6-9,14-17,21H,4-5,10-13,19-20H2,(H2,34,35,37)
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0.170n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50295690
PNG
((+/-)-2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluor...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCN(CC1=O)S(C)(=O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H37F3N4O5S/c1-3-35(12-4-11-34-13-9-30(10-14-34)24-18-23(31)7-5-22(24)20-42-30)29(39)28(21-6-8-25(32)26(33)17-21)37-16-15-36(19-27(37)38)43(2,40)41/h5-8,17-18,28H,3-4,9-16,19-20H2,1-2H3
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0.180n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R expressed in CHO cells by scintillation counting per mg of protein


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM85790
PNG
(Salmon MCH)
Show SMILES CSCCC(NC(=O)C(NC(=O)C(N)CC(O)=O)C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC1CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(NC(=O)C(CCSC)NC1=O)C(C)C)C(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)C)C(O)=O |(16.32,3.32,;17.66,2.55,;18.99,3.32,;18.99,4.86,;20.32,5.63,;20.32,7.17,;21.66,7.94,;22.99,7.17,;21.66,9.48,;22.99,10.25,;22.99,11.79,;21.66,12.56,;24.33,12.56,;25.66,11.79,;24.33,14.1,;25.66,14.87,;25.66,16.41,;26.99,14.1,;20.32,10.25,;18.99,9.48,;20.32,11.79,;21.66,4.86,;22.99,5.63,;21.66,3.32,;22.99,2.55,;24.33,3.32,;24.33,4.86,;25.66,5.63,;25.66,7.17,;26.99,7.94,;26.99,9.48,;28.33,7.17,;22.99,1.01,;21.66,.24,;24.33,.24,;24.33,-1.3,;22.99,-2.07,;21.66,-1.3,;20.32,-2.07,;20.32,-3.61,;18.99,-4.38,;18.99,-5.92,;17.66,-6.69,;16.12,-6.69,;17.66,-8.23,;16.52,-9.26,;17.15,-10.66,;18.67,-10.5,;18.99,-9,;20.32,-8.23,;21.09,-6.9,;21.66,-9,;21.66,-10.54,;20.32,-11.31,;20.32,-12.85,;18.99,-13.62,;18.99,-15.16,;17.66,-15.93,;20.32,-15.93,;22.99,-8.23,;24.33,-9,;24.33,-10.54,;25.66,-8.23,;26.99,-9,;26.99,-10.54,;25.66,-11.31,;25.66,-12.85,;26.99,-13.62,;26.99,-15.16,;28.33,-12.85,;28.33,-11.31,;25.66,-6.69,;26.99,-5.92,;26.99,-4.38,;28.33,-6.69,;29.66,-5.92,;30.99,-6.69,;30.99,-8.23,;32.33,-5.92,;33.66,-6.69,;33.66,-8.23,;34.99,-9,;34.99,-10.54,;36.33,-11.31,;36.33,-12.85,;37.66,-10.54,;32.33,-4.38,;33.66,-3.61,;34.99,-4.38,;33.66,-2.07,;32.33,-1.3,;32.33,.24,;33.66,1.01,;30.99,1.01,;29.66,.24,;28.33,1.01,;28.33,2.55,;26.99,.24,;25.81,1.23,;26.08,2.75,;27.53,3.27,;27.8,4.79,;26.99,-1.3,;25.66,-2.07,;25.66,-3.61,;30.99,2.55,;32.33,3.32,;29.66,3.32,;28.33,-8.23,;29.66,-9,;28.33,-9.77,;17.66,-3.61,;17.66,-2.07,;16.32,-4.38,;14.99,-3.61,;14.99,-2.07,;13.66,-1.3,;12.26,-1.93,;11.23,-.79,;11.99,.54,;11.51,2,;12.54,3.15,;14.05,2.83,;14.53,1.37,;13.5,.22,;13.66,-4.38,;13.66,-5.92,;12.12,-3.61,;10.78,-4.38,;10.78,-5.92,;9.45,-6.69,;9.45,-8.23,;8.11,-9,;10.78,-9,;9.45,-3.61,;9.45,-2.07,;7.91,-4.38,;6.57,-3.61,;6.57,-2.07,;5.24,-1.3,;7.91,-1.3,;5.24,-4.38,;3.91,-3.61,;5.24,-5.92,)|
Show InChI InChI=1S/C89H139N27O24S4/c1-43(2)67-82(135)101-40-64(119)102-53(18-12-30-97-87(91)92)74(127)113-68(44(3)4)83(136)109-59(36-47-22-24-49(118)25-23-47)77(130)107-58(20-14-32-99-89(95)96)85(138)116-33-15-21-63(116)81(134)111-62(80(133)108-60(37-48-39-100-52-17-11-10-16-50(48)52)78(131)104-55(26-27-65(120)121)75(128)114-69(45(5)6)86(139)140)42-144-143-41-61(79(132)105-57(29-35-142-9)76(129)112-67)110-72(125)54(19-13-31-98-88(93)94)103-73(126)56(28-34-141-8)106-84(137)70(46(7)117)115-71(124)51(90)38-66(122)123/h10-11,16-17,22-25,39,43-46,51,53-63,67-70,100,117-118H,12-15,18-21,26-38,40-42,90H2,1-9H3,(H,101,135)(H,102,119)(H,103,126)(H,104,131)(H,105,132)(H,106,137)(H,107,130)(H,108,133)(H,109,136)(H,110,125)(H,111,134)(H,112,129)(H,113,127)(H,114,128)(H,115,124)(H,120,121)(H,122,123)(H,139,140)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 98: 7564-9 (2001)


Article DOI: 10.1073/pnas.121170598
BindingDB Entry DOI: 10.7270/Q2RJ4H14
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50152456
PNG
((S)-3-{3-[4-(3-Acetylamino-phenyl)-piperidin-1-yl]...)
Show SMILES COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
Show InChI InChI=1S/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/t28-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50152456
PNG
((S)-3-{3-[4-(3-Acetylamino-phenyl)-piperidin-1-yl]...)
Show SMILES COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
Show InChI InChI=1S/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/t28-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120625
PNG
(CHEMBL3618330)
Show SMILES CNC1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1/C22H21ClN6O/c1-24-18-8-9-27(13-18)21-7-6-19(11-25-21)28-14-26-29-12-16(10-20(29)22(28)30)15-2-4-17(23)5-3-15/h2-7,10-12,14,18,24H,8-9,13H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258794
PNG
(US9499482, 213)
Show SMILES COc1cc(ccc1OCCN1CCCC1)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:20|
Show InChI InChI=1S/C29H30N2O4/c1-33-28-21-24(11-14-26(28)34-20-19-30-16-5-6-17-30)31-18-15-27(29(31)32)35-25-12-9-23(10-13-25)22-7-3-2-4-8-22/h2-4,7-15,21H,5-6,16-20H2,1H3
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0.300n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM85789
PNG
([Phe13,Tyr19]MCH)
Show SMILES CSCCC(NC(=O)C(CC(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC1CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCSC)NC1=O)C(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(O)=O |(16.32,9.48,;17.66,10.25,;18.99,9.48,;20.32,10.25,;21.66,9.48,;22.99,10.25,;22.99,11.79,;21.66,12.56,;24.33,12.56,;24.33,14.1,;23.24,15.19,;23.63,16.68,;21.75,14.79,;25.66,11.79,;26.99,12.56,;26.99,14.1,;28.33,11.79,;28.33,10.25,;29.66,9.48,;29.66,7.94,;30.99,7.17,;32.33,7.94,;32.33,9.48,;30.99,10.25,;29.66,12.56,;31.15,12.16,;31.55,10.67,;32.48,12.93,;33.81,12.16,;32.48,14.47,;33.81,15.24,;33.81,16.78,;35.3,14.84,;21.66,7.94,;22.99,7.17,;20.32,7.17,;20.32,5.63,;18.99,4.86,;18.99,3.32,;17.66,2.55,;20.32,2.55,;21.66,4.86,;22.99,5.63,;21.66,3.32,;22.99,2.55,;24.33,3.32,;24.33,4.86,;25.66,5.63,;25.66,7.17,;26.99,7.94,;26.99,9.48,;28.33,7.17,;22.99,1.01,;21.66,.24,;24.33,.24,;24.33,-1.3,;22.99,-2.07,;21.66,-1.3,;20.32,-2.07,;20.32,-3.61,;18.99,-4.38,;18.99,-5.92,;17.66,-6.69,;16.12,-6.69,;17.66,-8.23,;16.52,-9.26,;17.15,-10.66,;18.67,-10.5,;18.99,-9,;20.32,-8.23,;21.09,-6.9,;21.66,-9,;21.66,-10.54,;20.32,-11.31,;20.32,-12.85,;18.99,-13.62,;18.99,-15.16,;17.66,-15.93,;20.32,-15.93,;22.99,-8.23,;24.33,-9,;24.33,-10.54,;25.66,-8.23,;26.99,-9,;26.99,-10.54,;25.66,-11.31,;25.66,-12.85,;26.99,-13.62,;28.33,-12.85,;28.33,-11.31,;25.66,-6.69,;26.99,-5.92,;26.99,-4.38,;28.33,-6.69,;29.66,-5.92,;30.99,-6.69,;30.99,-8.23,;32.33,-5.92,;33.66,-6.69,;33.66,-8.23,;34.99,-9,;34.99,-10.54,;36.33,-11.31,;36.33,-12.85,;37.66,-10.54,;32.33,-4.38,;33.66,-3.61,;34.99,-4.38,;33.66,-2.07,;32.33,-1.3,;32.33,.24,;33.66,1.01,;30.99,1.01,;30.99,2.55,;32.33,3.32,;32.33,4.86,;33.66,2.55,;29.66,.24,;28.33,1.01,;28.33,2.55,;26.99,.24,;25.81,1.23,;26.08,2.75,;27.53,3.27,;27.8,4.79,;26.99,-1.3,;25.66,-2.07,;25.66,-3.61,;28.33,-8.23,;29.66,-9,;28.33,-9.77,;17.66,-3.61,;17.66,-2.07,;16.32,-4.38,;14.99,-3.61,;14.99,-2.07,;13.66,-1.3,;12.26,-1.93,;11.23,-.79,;11.99,.54,;11.51,2,;12.54,3.15,;14.05,2.83,;14.53,1.37,;13.5,.22,;13.66,-4.38,;13.66,-5.92,;12.12,-3.61,;10.78,-4.38,;10.78,-5.92,;9.45,-6.69,;9.45,-8.23,;8.11,-9,;10.78,-9,;9.45,-3.61,;9.45,-2.07,;7.91,-4.38,;6.57,-3.61,;6.57,-2.07,;5.24,-1.3,;5.24,.24,;3.91,1.01,;2.57,.24,;1.24,1.01,;2.57,-1.3,;3.91,-2.07,;5.24,-4.38,;3.91,-3.61,;5.24,-5.92,)|
Show InChI InChI=1S/C109H160N30O26S4/c1-57(2)45-74-90(148)122-54-85(142)123-68(27-17-39-118-107(112)113)95(153)138-88(59(5)6)104(162)134-77(48-61-23-13-10-14-24-61)97(155)128-73(29-19-41-120-109(116)117)105(163)139-42-20-30-83(139)103(161)137-82(102(160)132-78(50-63-53-121-67-26-16-15-25-65(63)67)99(157)125-70(35-36-84(111)141)92(150)135-80(106(164)165)49-62-31-33-64(140)34-32-62)56-169-168-55-81(101(159)127-72(38-44-167-8)93(151)130-74)136-91(149)69(28-18-40-119-108(114)115)124-96(154)75(46-58(3)4)131-94(152)71(37-43-166-7)126-100(158)79(52-87(145)146)133-98(156)76(47-60-21-11-9-12-22-60)129-89(147)66(110)51-86(143)144/h9-16,21-26,31-34,53,57-59,66,68-83,88,121,140H,17-20,27-30,35-52,54-56,110H2,1-8H3,(H2,111,141)(H,122,148)(H,123,142)(H,124,154)(H,125,157)(H,126,158)(H,127,159)(H,128,155)(H,129,147)(H,130,151)(H,131,152)(H,132,160)(H,133,156)(H,134,162)(H,135,150)(H,136,149)(H,137,161)(H,138,153)(H,143,144)(H,145,146)(H,164,165)(H4,112,113,118)(H4,114,115,119)(H4,116,117,120)
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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 98: 7564-9 (2001)


Article DOI: 10.1073/pnas.121170598
BindingDB Entry DOI: 10.7270/Q2RJ4H14
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169377
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-propyl-piperidin-4...)
Show SMILES CCCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C29H30Cl2N4O/c1-2-12-35-13-10-29(11-14-35,20-33-28(36)34-27-17-25(30)16-26(31)18-27)24-8-6-22(7-9-24)23-5-3-4-21(15-23)19-32/h3-9,15-18H,2,10-14,20H2,1H3,(H2,33,34,36)
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0.310n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM85976
PNG
(N-Me-Nle8)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-1-[#7](-[#6])-[#6](=O)-[#6](-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6]-1=O)-[#6](-[#6])-[#6])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C60H101N21O13S2/c1-8-9-17-44-53(90)75-40(27-32(2)3)49(86)71-29-46(84)73-38(15-11-24-69-59(64)65)51(88)79-47(33(4)5)55(92)76-41(28-35-19-21-36(83)22-20-35)52(89)74-39(16-12-25-70-60(66)67)57(94)81-26-13-18-45(81)54(91)77-42(48(61)85)30-95-96-31-43(56(93)80(44)7)78-50(87)37(72-34(6)82)14-10-23-68-58(62)63/h19-22,32-33,37-45,47,83H,8-18,23-31H2,1-7H3,(H2,61,85)(H,71,86)(H,72,82)(H,73,84)(H,74,89)(H,75,90)(H,76,92)(H,77,91)(H,78,87)(H,79,88)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)
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0.340n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Biochemistry 41: 6383-90 (2002)


Article DOI: 10.1021/acs.biochem.6b00023
BindingDB Entry DOI: 10.7270/Q23N21ZT
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50241083
PNG
(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
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0.340n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat MCHR1


Bioorg Med Chem Lett 25: 2793-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.008
BindingDB Entry DOI: 10.7270/Q29C7053
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258797
PNG
(US9499482, 216)
Show SMILES COc1cc(ccc1OCCN1CCCCC1)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:21|
Show InChI InChI=1S/C30H32N2O4/c1-34-29-22-25(12-15-27(29)35-21-20-31-17-6-3-7-18-31)32-19-16-28(30(32)33)36-26-13-10-24(11-14-26)23-8-4-2-5-9-23/h2,4-5,8-16,22H,3,6-7,17-21H2,1H3
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0.400n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258817
PNG
(US9499482, 252)
Show SMILES O=C1N(CC=C1Oc1ccc(cc1)C1CC1)c1ccc2n(CCN3CCCC3)ncc2c1 |c:4|
Show InChI InChI=1S/C26H28N4O2/c31-26-25(32-23-8-5-20(6-9-23)19-3-4-19)11-14-29(26)22-7-10-24-21(17-22)18-27-30(24)16-15-28-12-1-2-13-28/h5-11,17-19H,1-4,12-16H2
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0.400n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258754
PNG
(US9499482, 153)
Show SMILES COc1cc(ccc1OCCN1CC[C@H](C1)NC(=O)C(F)(F)F)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:27|
Show InChI InChI=1/C28H30F3N3O5/c1-37-25-16-21(34-13-11-24(26(34)35)39-22-7-4-19(5-8-22)18-2-3-18)6-9-23(25)38-15-14-33-12-10-20(17-33)32-27(36)28(29,30)31/h4-9,11,16,18,20H,2-3,10,12-15,17H2,1H3,(H,32,36)/t20-/s2
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0.400n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120624
PNG
(CHEMBL3618324)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-24-15-21(8-9-23(24)33-13-12-28-10-2-3-11-28)29-17-27-30-16-19(14-22(30)25(29)31)18-4-6-20(26)7-5-18/h4-9,14-17H,2-3,10-13H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120625
PNG
(CHEMBL3618330)
Show SMILES CNC1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1/C22H21ClN6O/c1-24-18-8-9-27(13-18)21-7-6-19(11-25-21)28-14-26-29-12-16(10-20(29)22(28)30)15-2-4-17(23)5-3-15/h2-7,10-12,14,18,24H,8-9,13H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258758
PNG
(US9499482, 157)
Show SMILES COc1cc(ccc1OCCN1CC(O)(C1)C1CC1)N1CCC(Oc2ccc(cc2)C2CC2)C1=O
Show InChI InChI=1/C28H34N2O5/c1-33-26-16-22(8-11-24(26)34-15-14-29-17-28(32,18-29)21-6-7-21)30-13-12-25(27(30)31)35-23-9-4-20(5-10-23)19-2-3-19/h4-5,8-11,16,19,21,25,32H,2-3,6-7,12-15,17-18H2,1H3
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0.400n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258763
PNG
(US9499482, 163)
Show SMILES COc1cc(ccc1OCCN1CC(C1)NC(=O)OC(C)(C)C)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:27|
Show InChI InChI=1S/C30H37N3O6/c1-30(2,3)39-29(35)31-22-18-32(19-22)15-16-37-25-12-9-23(17-27(25)36-4)33-14-13-26(28(33)34)38-24-10-7-21(8-11-24)20-5-6-20/h7-13,17,20,22H,5-6,14-16,18-19H2,1-4H3,(H,31,35)
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0.400n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258766
PNG
(US9499482, 166)
Show SMILES CCc1cc(ccc1OCCN1CCC2(COC2)CC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:25|
Show InChI InChI=1S/C30H36N2O4/c1-2-22-19-25(7-10-27(22)35-18-17-31-15-12-30(13-16-31)20-34-21-30)32-14-11-28(29(32)33)36-26-8-5-24(6-9-26)23-3-4-23/h5-11,19,23H,2-4,12-18,20-21H2,1H3
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0.400n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258767
PNG
(US9499482, 167)
Show SMILES CCc1cc(ccc1OCCN1CC(O)(C1)C1CC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:24|
Show InChI InChI=1S/C29H34N2O4/c1-2-20-17-24(9-12-26(20)34-16-15-30-18-29(33,19-30)23-7-8-23)31-14-13-27(28(31)32)35-25-10-5-22(6-11-25)21-3-4-21/h5-6,9-13,17,21,23,33H,2-4,7-8,14-16,18-19H2,1H3
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0.400n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258778
PNG
(US9499482, 184)
Show SMILES FC(F)Oc1cc(ccc1OCCN1CCCC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:22|
Show InChI InChI=1S/C26H28F2N2O4/c27-26(28)34-24-17-20(7-10-22(24)32-16-15-29-12-1-2-13-29)30-14-11-23(25(30)31)33-21-8-5-19(6-9-21)18-3-4-18/h5-11,17-18,26H,1-4,12-16H2
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0.400n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258795
PNG
(US9499482, 214)
Show SMILES COc1cc(ccc1OCCN1CCC[C@H]1CO)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |r,t:22|
Show InChI InChI=1/C30H32N2O5/c1-35-29-20-24(11-14-27(29)36-19-18-31-16-5-8-25(31)21-33)32-17-15-28(30(32)34)37-26-12-9-23(10-13-26)22-6-3-2-4-7-22/h2-4,6-7,9-15,20,25,33H,5,8,16-19,21H2,1H3/t25-/s2
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0.400n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169374
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-(2-methoxy-ethyl)-...)
Show SMILES COCCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C29H30Cl2N4O2/c1-37-14-13-35-11-9-29(10-12-35,20-33-28(36)34-27-17-25(30)16-26(31)18-27)24-7-5-22(6-8-24)23-4-2-3-21(15-23)19-32/h2-8,15-18H,9-14,20H2,1H3,(H2,33,34,36)
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0.410n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50295690
PNG
((+/-)-2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluor...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCN(CC1=O)S(C)(=O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H37F3N4O5S/c1-3-35(12-4-11-34-13-9-30(10-14-34)24-18-23(31)7-5-22(24)20-42-30)29(39)28(21-6-8-25(32)26(33)17-21)37-16-15-36(19-27(37)38)43(2,40)41/h5-8,17-18,28H,3-4,9-16,19-20H2,1-2H3
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0.420n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)amino)-2-oxoethyl)-3-oxopip...


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50169390
PNG
(1-[4-(3'-Cyano-biphenyl-4-yl)-1-isopropyl-piperidi...)
Show SMILES CC(C)N1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C29H30Cl2N4O/c1-20(2)35-12-10-29(11-13-35,19-33-28(36)34-27-16-25(30)15-26(31)17-27)24-8-6-22(7-9-24)23-5-3-4-21(14-23)18-32/h3-9,14-17,20H,10-13,19H2,1-2H3,(H2,33,34,36)
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0.450n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Ability to displace [125-I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells


Bioorg Med Chem Lett 15: 3696-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.085
BindingDB Entry DOI: 10.7270/Q2ZS2W16
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258709
PNG
(US9499482, 108)
Show SMILES COc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1/C29H32N2O4/c1-33-28-21-24(11-14-26(28)34-20-19-30-16-5-6-17-30)31-18-15-27(29(31)32)35-25-12-9-23(10-13-25)22-7-3-2-4-8-22/h2-4,7-14,21,27H,5-6,15-20H2,1H3/t27-/s2
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0.5n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258793
PNG
(US9499482, 212)
Show SMILES COc1cc(ccc1OCCN1CC(O)C1)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:20|
Show InChI InChI=1S/C28H28N2O5/c1-33-27-17-22(9-12-25(27)34-16-15-29-18-23(31)19-29)30-14-13-26(28(30)32)35-24-10-7-21(8-11-24)20-5-3-2-4-6-20/h2-13,17,23,31H,14-16,18-19H2,1H3
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0.5n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258713
PNG
(US9499482, 112)
Show SMILES Cc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1/C29H32N2O3/c1-22-21-25(11-14-27(22)33-20-19-30-16-5-6-17-30)31-18-15-28(29(31)32)34-26-12-9-24(10-13-26)23-7-3-2-4-8-23/h2-4,7-14,21,28H,5-6,15-20H2,1H3/t28-/s2
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0.5n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258715
PNG
(US9499482, 114)
Show SMILES Clc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1/C28H29ClN2O3/c29-25-20-23(10-13-26(25)33-19-18-30-15-4-5-16-30)31-17-14-27(28(31)32)34-24-11-8-22(9-12-24)21-6-2-1-3-7-21/h1-3,6-13,20,27H,4-5,14-19H2/t27-/s2
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0.5n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258752
PNG
(US9499482, 151)
Show SMILES COc1cc(ccc1OCCN1CCC[C@H]1CO)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:22|
Show InChI InChI=1/C27H32N2O5/c1-32-26-17-21(8-11-24(26)33-16-15-28-13-2-3-22(28)18-30)29-14-12-25(27(29)31)34-23-9-6-20(7-10-23)19-4-5-19/h6-12,17,19,22,30H,2-5,13-16,18H2,1H3/t22-/s2
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0.5n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258755
PNG
(US9499482, 154)
Show SMILES COc1cc(ccc1OCCN1CCC2(COC2)CC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:25|
Show InChI InChI=1S/C29H34N2O5/c1-33-27-18-23(6-9-25(27)35-17-16-30-14-11-29(12-15-30)19-34-20-29)31-13-10-26(28(31)32)36-24-7-4-22(5-8-24)21-2-3-21/h4-10,18,21H,2-3,11-17,19-20H2,1H3
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0.5n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50371874
PNG
(CHEMBL257733)
Show SMILES CO[C@@H]1CN(C[C@H]2Cc3ccc(cc3C2)C#N)CC[C@H]1n1c(nc2cc(C)c(F)cc12)C(C)(C)O
Show InChI InChI=1S/C28H33FN4O2/c1-17-9-23-25(13-22(17)29)33(27(31-23)28(2,3)34)24-7-8-32(16-26(24)35-4)15-19-11-20-6-5-18(14-30)10-21(20)12-19/h5-6,9-10,13,19,24,26,34H,7-8,11-12,15-16H2,1-4H3/t19-,24+,26+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Hoffmann-La Roche, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 18: 1402-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.010
BindingDB Entry DOI: 10.7270/Q2M909HR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50295690
PNG
((+/-)-2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluor...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCN(CC1=O)S(C)(=O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H37F3N4O5S/c1-3-35(12-4-11-34-13-9-30(10-14-34)24-18-23(31)7-5-22(24)20-42-30)29(39)28(21-6-8-25(32)26(33)17-21)37-16-15-36(19-27(37)38)43(2,40)41/h5-8,17-18,28H,3-4,9-16,19-20H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)amino)-2-oxoethyl)-3-oxopip...


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120635
PNG
(CHEMBL3618325)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2nc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN5O3/c1-32-23-14-19(8-9-22(23)33-13-12-28-10-2-3-11-28)29-16-26-30-21(24(29)31)15-20(27-30)17-4-6-18(25)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120624
PNG
(CHEMBL3618324)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-24-15-21(8-9-23(24)33-13-12-28-10-2-3-11-28)29-17-27-30-16-19(14-22(30)25(29)31)18-4-6-20(26)7-5-18/h4-9,14-17H,2-3,10-13H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258756
PNG
(US9499482, 155)
Show SMILES COC1CN(CCOc2ccc(cc2OC)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |t:19|
Show InChI InChI=1S/C26H30N2O5/c1-30-22-16-27(17-22)13-14-32-23-10-7-20(15-25(23)31-2)28-12-11-24(26(28)29)33-21-8-5-19(6-9-21)18-3-4-18/h5-11,15,18,22H,3-4,12-14,16-17H2,1-2H3
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0.5n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258762
PNG
(US9499482, 161)
Show SMILES COc1cc(ccc1OCCN1CC(C)(C1)OC)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:22|
Show InChI InChI=1S/C27H32N2O5/c1-27(32-3)17-28(18-27)14-15-33-23-11-8-21(16-25(23)31-2)29-13-12-24(26(29)30)34-22-9-6-20(7-10-22)19-4-5-19/h6-12,16,19H,4-5,13-15,17-18H2,1-3H3
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0.5n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258764
PNG
(US9499482, 164)
Show SMILES CCc1cc(ccc1OCCN1CCCC1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:20|
Show InChI InChI=1S/C27H32N2O3/c1-2-20-19-23(9-12-25(20)31-18-17-28-14-3-4-15-28)29-16-13-26(27(29)30)32-24-10-7-22(8-11-24)21-5-6-21/h7-13,19,21H,2-6,14-18H2,1H3
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0.5n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258769
PNG
(US9499482, 169)
Show SMILES CCc1cc(ccc1OCCN1CC(C)(O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |t:21|
Show InChI InChI=1S/C27H32N2O4/c1-3-19-16-22(8-11-24(19)32-15-14-28-17-27(2,31)18-28)29-13-12-25(26(29)30)33-23-9-6-21(7-10-23)20-4-5-20/h6-12,16,20,31H,3-5,13-15,17-18H2,1-2H3
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0.5n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258711
PNG
(US9499482, 110)
Show SMILES CCc1cc(ccc1OCCN1CCCC1)N1CC[C@H](Oc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1/C30H34N2O3/c1-2-23-22-26(12-15-28(23)34-21-20-31-17-6-7-18-31)32-19-16-29(30(32)33)35-27-13-10-25(11-14-27)24-8-4-3-5-9-24/h3-5,8-15,22,29H,2,6-7,16-21H2,1H3/t29-/s2
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0.5n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM85956
PNG
(N-Me-Arg11)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6]-1=O)-[#6](-[#6])-[#6])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C59H99N21O13S3/c1-31(2)26-39-48(85)70-28-45(83)79(6)43(14-10-23-69-59(65)66)53(90)78-46(32(3)4)55(92)75-40(27-34-16-18-35(82)19-17-34)51(88)73-38(13-9-22-68-58(63)64)56(93)80-24-11-15-44(80)54(91)76-41(47(60)84)29-95-96-30-42(52(89)72-37(20-25-94-7)50(87)74-39)77-49(86)36(71-33(5)81)12-8-21-67-57(61)62/h16-19,31-32,36-44,46,82H,8-15,20-30H2,1-7H3,(H2,60,84)(H,70,85)(H,71,81)(H,72,89)(H,73,88)(H,74,87)(H,75,92)(H,76,91)(H,77,86)(H,78,90)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)
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0.550n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Biochemistry 41: 6383-90 (2002)


Article DOI: 10.1021/acs.biochem.6b00023
BindingDB Entry DOI: 10.7270/Q23N21ZT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258747
PNG
(US9499482, 146)
Show SMILES COc1cc(ccc1OCCN1CC[C@@H](F)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:21|
Show InChI InChI=1/C26H29FN2O4/c1-31-25-16-21(6-9-23(25)32-15-14-28-12-10-20(27)17-28)29-13-11-24(26(29)30)33-22-7-4-19(5-8-22)18-2-3-18/h4-9,11,16,18,20H,2-3,10,12-15,17H2,1H3/t20-/s2
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US Patent
0.600n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
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))
BDBM50383522
PNG
(CHEMBL2032049)
Show SMILES C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
Show InChI InChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Amgen San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 22: 3781-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.006
BindingDB Entry DOI: 10.7270/Q2542PMN
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219036
PNG
(CHEMBL388440 | N-{3-[1-(3-{[hydroxy(diphenyl)acety...)
Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C33H41N3O3/c1-24(2)31(37)35-29-16-15-25(3)30(23-29)26-17-21-36(22-18-26)20-10-19-34-32(38)33(39,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-16,23-24,26,39H,10,17-22H2,1-3H3,(H,34,38)(H,35,37)
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0.600n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258825
PNG
(US9499482, 260)
Show SMILES OC[C@H]1CCCN1CCn1ncc2cc(ccc12)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:23|
Show InChI InChI=1/C27H30N4O3/c32-18-23-2-1-12-29(23)14-15-31-25-10-7-22(16-21(25)17-28-31)30-13-11-26(27(30)33)34-24-8-5-20(6-9-24)19-3-4-19/h5-11,16-17,19,23,32H,1-4,12-15,18H2/t23-/s2
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0.600n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair
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