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Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'sailer' and Initial = 'aw'   
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 1


(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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PubMed
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
Melanin-concentrating hormone receptor 1


(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 2


(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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0.800n/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 2


(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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1.5n/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 2


(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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437n/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
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of 7-alpha,25-OHC-induced cell migration after 3 hrs by flow cytometr...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193637
PNG
((E)-N-(4-amino-2-tert-butylquinolin-6-yl)-3-(4-(tr...)
Show SMILES CC(C)(C)c1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H22F3N3O/c1-22(2,3)20-13-18(27)17-12-16(9-10-19(17)29-20)28-21(30)11-6-14-4-7-15(8-5-14)23(24,25)26/h4-13H,1-3H3,(H2,27,29)(H,28,30)/b11-6+
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193645
PNG
((E)-N-(4-amino-2-sec-butylquinolin-6-yl)-3-(4-(tri...)
Show SMILES CCC(C)c1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H22F3N3O/c1-3-14(2)21-13-19(27)18-12-17(9-10-20(18)29-21)28-22(30)11-6-15-4-7-16(8-5-15)23(24,25)26/h4-14H,3H2,1-2H3,(H2,27,29)(H,28,30)/b11-6+
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193700
PNG
(CHEMBL217502 | N-(2-(2,7-diazaspiro[4.4]nonan-2-yl...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CCC3(CCNC3)C2)cc1
Show InChI InChI=1S/C26H27F3N4O/c27-26(28,29)20-5-1-18(2-6-20)3-10-24(34)31-21-7-8-22-19(15-21)4-9-23(32-22)33-14-12-25(17-33)11-13-30-16-25/h1-2,4-9,15,30H,3,10-14,16-17H2,(H,31,34)
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193606
PNG
(CHEMBL385957 | N-(4-amino-2-propylquinolin-6-yl)-4...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C25H22ClN3O/c1-2-3-20-15-23(27)22-14-21(12-13-24(22)28-20)29-25(30)18-6-4-16(5-7-18)17-8-10-19(26)11-9-17/h4-15H,2-3H2,1H3,(H2,27,28)(H,29,30)
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193638
PNG
((E)-N-(4-amino-2-cyclopentylquinolin-6-yl)-3-(4-(t...)
Show SMILES Nc1cc(nc2ccc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)cc12)C1CCCC1
Show InChI InChI=1S/C24H22F3N3O/c25-24(26,27)17-8-5-15(6-9-17)7-12-23(31)29-18-10-11-21-19(13-18)20(28)14-22(30-21)16-3-1-2-4-16/h5-14,16H,1-4H2,(H2,28,30)(H,29,31)/b12-7+
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193696
PNG
(CHEMBL385452 | N-(2-(3-isobutyramidopyrrolidin-1-y...)
Show SMILES CC(C)C(=O)NC1CCN(C1)c1ccc2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C27H29F3N4O2/c1-17(2)26(36)32-22-13-14-34(16-22)24-11-6-19-15-21(9-10-23(19)33-24)31-25(35)12-5-18-3-7-20(8-4-18)27(28,29)30/h3-4,6-11,15,17,22H,5,12-14,16H2,1-2H3,(H,31,35)(H,32,36)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193702
PNG
(CHEMBL217078 | N-(2-(2-azabicyclo[2.2.1]heptan-2-y...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CC3CCC2C3)cc1 |THB:18:23:29:27.26|
Show InChI InChI=1S/C25H24F3N3O/c26-25(27,28)19-6-1-16(2-7-19)4-12-24(32)29-20-8-10-22-18(14-20)5-11-23(30-22)31-15-17-3-9-21(31)13-17/h1-2,5-8,10-11,14,17,21H,3-4,9,12-13,15H2,(H,29,32)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193651
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(biphenyl-...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)-c3ccccc3)ccc2n1
Show InChI InChI=1S/C27H25N3O/c1-2-6-22-18-25(28)24-17-23(14-15-26(24)29-22)30-27(31)16-11-19-9-12-21(13-10-19)20-7-4-3-5-8-20/h3-5,7-18H,2,6H2,1H3,(H2,28,29)(H,30,31)/b16-11+
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193605
PNG
((E)-N-(4-amino-2-pentylquinolin-6-yl)-3-(4-(triflu...)
Show SMILES CCCCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C24H24F3N3O/c1-2-3-4-5-18-15-21(28)20-14-19(11-12-22(20)29-18)30-23(31)13-8-16-6-9-17(10-7-16)24(25,26)27/h6-15H,2-5H2,1H3,(H2,28,29)(H,30,31)/b13-8+
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193635
PNG
((E)-N-(4-amino-2-cyclohexylquinolin-6-yl)-3-(4-(tr...)
Show SMILES Nc1cc(nc2ccc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)cc12)C1CCCCC1
Show InChI InChI=1S/C25H24F3N3O/c26-25(27,28)18-9-6-16(7-10-18)8-13-24(32)30-19-11-12-22-20(14-19)21(29)15-23(31-22)17-4-2-1-3-5-17/h6-15,17H,1-5H2,(H2,29,31)(H,30,32)/b13-8+
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193636
PNG
((E)-N-(4-amino-2-ethylquinolin-6-yl)-3-(4-(trifluo...)
Show SMILES CCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C21H18F3N3O/c1-2-15-12-18(25)17-11-16(8-9-19(17)26-15)27-20(28)10-5-13-3-6-14(7-4-13)21(22,23)24/h3-12H,2H2,1H3,(H2,25,26)(H,27,28)/b10-5+
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193603
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-(triflu...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H20F3N3O/c1-2-3-16-13-19(26)18-12-17(9-10-20(18)27-16)28-21(29)11-6-14-4-7-15(8-5-14)22(23,24)25/h4-13H,2-3H2,1H3,(H2,26,27)(H,28,29)/b11-6+
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193603
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-(triflu...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H20F3N3O/c1-2-3-16-13-19(26)18-12-17(9-10-20(18)27-16)28-21(29)11-6-14-4-7-15(8-5-14)22(23,24)25/h4-13H,2-3H2,1H3,(H2,26,27)(H,28,29)/b11-6+
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193641
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-ethylph...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(CC)cc3)ccc2n1
Show InChI InChI=1S/C23H25N3O/c1-3-5-18-15-21(24)20-14-19(11-12-22(20)25-18)26-23(27)13-10-17-8-6-16(4-2)7-9-17/h6-15H,3-5H2,1-2H3,(H2,24,25)(H,26,27)/b13-10+
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193653
PNG
((E)-N-(4-amino-2-butylquinolin-6-yl)-3-(4-(trifluo...)
Show SMILES CCCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H22F3N3O/c1-2-3-4-17-14-20(27)19-13-18(10-11-21(19)28-17)29-22(30)12-7-15-5-8-16(9-6-15)23(24,25)26/h5-14H,2-4H2,1H3,(H2,27,28)(H,29,30)/b12-7+
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193647
PNG
((E)-N-(4-(methylamino)-2-propylquinolin-6-yl)-3-(4...)
Show SMILES CCCc1cc(NC)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H22F3N3O/c1-3-4-17-14-21(27-2)19-13-18(10-11-20(19)28-17)29-22(30)12-7-15-5-8-16(9-6-15)23(24,25)26/h5-14H,3-4H2,1-2H3,(H,27,28)(H,29,30)/b12-7+
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193679
PNG
(CHEMBL385748 | N-(2-(3-methylpyrrolidin-1-yl)quino...)
Show SMILES CC1CCN(C1)c1ccc2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C24H24F3N3O/c1-16-12-13-30(15-16)22-10-5-18-14-20(8-9-21(18)29-22)28-23(31)11-4-17-2-6-19(7-3-17)24(25,26)27/h2-3,5-10,14,16H,4,11-13,15H2,1H3,(H,28,31)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193620
PNG
((E)-N-(4-amino-2-cyclobutylquinolin-6-yl)-3-(4-(tr...)
Show SMILES Nc1cc(nc2ccc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)cc12)C1CCC1
Show InChI InChI=1S/C23H20F3N3O/c24-23(25,26)16-7-4-14(5-8-16)6-11-22(30)28-17-9-10-20-18(12-17)19(27)13-21(29-20)15-2-1-3-15/h4-13,15H,1-3H2,(H2,27,29)(H,28,30)/b11-6+
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193701
PNG
(CHEMBL215082 | N-(2-(cyclopentyl(methyl)amino)quin...)
Show SMILES CN(C1CCCC1)c1ccc2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C25H26F3N3O/c1-31(21-4-2-3-5-21)23-14-9-18-16-20(12-13-22(18)30-23)29-24(32)15-8-17-6-10-19(11-7-17)25(26,27)28/h6-7,9-14,16,21H,2-5,8,15H2,1H3,(H,29,32)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193681
PNG
(CHEMBL215648 | N-(2-(isopropyl(methyl)amino)quinol...)
Show SMILES CC(C)N(C)c1ccc2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H24F3N3O/c1-15(2)29(3)21-12-7-17-14-19(10-11-20(17)28-21)27-22(30)13-6-16-4-8-18(9-5-16)23(24,25)26/h4-5,7-12,14-15H,6,13H2,1-3H3,(H,27,30)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193613
PNG
((E)-N-(4-amino-2-isopropylquinolin-6-yl)-3-(4-(tri...)
Show SMILES CC(C)c1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H20F3N3O/c1-13(2)20-12-18(26)17-11-16(8-9-19(17)28-20)27-21(29)10-5-14-3-6-15(7-4-14)22(23,24)25/h3-13H,1-2H3,(H2,26,28)(H,27,29)/b10-5+
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193630
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-iodophe...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(I)cc3)ccc2n1
Show InChI InChI=1S/C21H20IN3O/c1-2-3-16-13-19(23)18-12-17(9-10-20(18)24-16)25-21(26)11-6-14-4-7-15(22)8-5-14/h4-13H,2-3H2,1H3,(H2,23,24)(H,25,26)/b11-6+
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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193643
PNG
((E)-N-(4-(azetidin-1-yl)-2-propylquinolin-6-yl)-3-...)
Show SMILES CCCc1cc(N2CCC2)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C25H24F3N3O/c1-2-4-19-16-23(31-13-3-14-31)21-15-20(10-11-22(21)29-19)30-24(32)12-7-17-5-8-18(9-6-17)25(26,27)28/h5-12,15-16H,2-4,13-14H2,1H3,(H,30,32)/b12-7+
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n/an/a 2.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193610
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-isoprop...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(C)C)ccc2n1
Show InChI InChI=1S/C24H27N3O/c1-4-5-19-15-22(25)21-14-20(11-12-23(21)26-19)27-24(28)13-8-17-6-9-18(10-7-17)16(2)3/h6-16H,4-5H2,1-3H3,(H2,25,26)(H,27,28)/b13-8+
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193680
PNG
(CHEMBL217207 | N-(2-(2-azabicyclo[2.2.2]octan-2-yl...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CC3CCC2CC3)cc1 |THB:18:23:27.26:29.30,(1.65,-7.49,;1.65,-9.03,;.32,-9.8,;.31,-8.26,;2.99,-9.8,;4.32,-9.03,;5.65,-9.8,;5.65,-11.34,;6.98,-12.11,;8.31,-11.34,;9.64,-12.11,;9.64,-13.65,;10.98,-11.34,;12.31,-12.11,;12.31,-13.65,;13.64,-14.42,;14.98,-13.64,;16.32,-14.41,;17.65,-13.63,;17.64,-12.09,;16.3,-11.32,;14.98,-12.1,;13.64,-11.33,;18.99,-14.4,;19.16,-15.78,;20.7,-15.14,;22.07,-15.79,;21.81,-14.39,;20.46,-13.77,;20.55,-12.13,;20.98,-13.24,;4.32,-12.11,;2.99,-11.35,)|
Show InChI InChI=1S/C26H26F3N3O/c27-26(28,29)20-7-1-17(2-8-20)5-14-25(33)30-21-9-12-23-19(15-21)6-13-24(31-23)32-16-18-3-10-22(32)11-4-18/h1-2,6-9,12-13,15,18,22H,3-5,10-11,14,16H2,(H,30,33)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193676
PNG
(CHEMBL215331 | N-(2-(dimethylamino)quinolin-6-yl)-...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CCCC2)cc1
Show InChI InChI=1S/C23H22F3N3O/c24-23(25,26)18-7-3-16(4-8-18)5-12-22(30)27-19-9-10-20-17(15-19)6-11-21(28-20)29-13-1-2-14-29/h3-4,6-11,15H,1-2,5,12-14H2,(H,27,30)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193692
PNG
(1-(6-(3-(4-(trifluoromethyl)phenyl)propanamido)qui...)
Show SMILES OS(=O)(=O)NC1CCN(C1)c1ccc2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H23F3N4O4S/c24-23(25,26)17-5-1-15(2-6-17)3-10-22(31)27-18-7-8-20-16(13-18)4-9-21(28-20)30-12-11-19(14-30)29-35(32,33)34/h1-2,4-9,13,19,29H,3,10-12,14H2,(H,27,31)(H,32,33,34)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50241093
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-bromoph...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(Br)cc3)ccc2n1
Show InChI InChI=1S/C21H20BrN3O/c1-2-3-16-13-19(23)18-12-17(9-10-20(18)24-16)25-21(26)11-6-14-4-7-15(22)8-5-14/h4-13H,2-3H2,1H3,(H2,23,24)(H,25,26)/b11-6+
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193652
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-propylp...)
Show SMILES CCCc1ccc(\C=C\C(=O)Nc2ccc3nc(CCC)cc(N)c3c2)cc1
Show InChI InChI=1S/C24H27N3O/c1-3-5-17-7-9-18(10-8-17)11-14-24(28)27-20-12-13-23-21(15-20)22(25)16-19(26-23)6-4-2/h7-16H,3-6H2,1-2H3,(H2,25,26)(H,27,28)/b14-11+
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193688
PNG
(CHEMBL217487 | N-(2-(azetidin-1-yl)quinolin-6-yl)-...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CCC2)cc1
Show InChI InChI=1S/C22H20F3N3O/c23-22(24,25)17-6-2-15(3-7-17)4-11-21(29)26-18-8-9-19-16(14-18)5-10-20(27-19)28-12-1-13-28/h2-3,5-10,14H,1,4,11-13H2,(H,26,29)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193634
PNG
(CHEMBL214888 | N-(4-amino-2-propylquinolin-6-yl)-4...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)C3CCC(CC3)c3ccc(Cl)cc3)ccc2n1 |(22.22,-15.01,;20.88,-14.24,;19.56,-15.01,;18.22,-14.25,;18.21,-12.7,;16.87,-11.94,;16.86,-10.4,;15.55,-12.72,;14.21,-11.95,;12.88,-12.73,;11.55,-11.96,;10.21,-12.73,;10.21,-14.27,;8.88,-11.96,;7.56,-12.73,;6.22,-11.97,;6.22,-10.42,;7.56,-9.65,;8.89,-10.41,;4.88,-9.65,;3.56,-10.42,;2.23,-9.67,;2.22,-8.12,;.89,-7.35,;3.55,-7.34,;4.89,-8.11,;12.88,-14.27,;14.21,-15.04,;15.55,-14.26,;16.89,-15.03,)|
Show InChI InChI=1S/C25H28ClN3O/c1-2-3-20-15-23(27)22-14-21(12-13-24(22)28-20)29-25(30)18-6-4-16(5-7-18)17-8-10-19(26)11-9-17/h8-16,18H,2-7H2,1H3,(H2,27,28)(H,29,30)
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n/an/a 4.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193640
PNG
(CHEMBL215258 | N-(4-amino-2-propylquinolin-6-yl)-4...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C26H22F3N3O/c1-2-3-20-15-23(30)22-14-21(12-13-24(22)31-20)32-25(33)18-6-4-16(5-7-18)17-8-10-19(11-9-17)26(27,28)29/h4-15H,2-3H2,1H3,(H2,30,31)(H,32,33)
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n/an/a 4.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193650
PNG
((E)-N-(4-(ethylamino)-2-propylquinolin-6-yl)-3-(4-...)
Show SMILES CCCc1cc(NCC)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C24H24F3N3O/c1-3-5-18-15-22(28-4-2)20-14-19(11-12-21(20)29-18)30-23(31)13-8-16-6-9-17(10-7-16)24(25,26)27/h6-15H,3-5H2,1-2H3,(H,28,29)(H,30,31)/b13-8+
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011701
PNG
(CHEMBL3262895)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21BrN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193687
PNG
(CHEMBL215316 | N-(2-(3-acetamidopyrrolidin-1-yl)qu...)
Show SMILES CC(=O)NC1CCN(C1)c1ccc2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C25H25F3N4O2/c1-16(33)29-21-12-13-32(15-21)23-10-5-18-14-20(8-9-22(18)31-23)30-24(34)11-4-17-2-6-19(7-3-17)25(26,27)28/h2-3,5-10,14,21H,4,11-13,15H2,1H3,(H,29,33)(H,30,34)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193674
PNG
(CHEMBL214125 | N-(2-(2-methylpyrrolidin-1-yl)quino...)
Show SMILES CC1CCCN1c1ccc2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C24H24F3N3O/c1-16-3-2-14-30(16)22-12-7-18-15-20(10-11-21(18)29-22)28-23(31)13-6-17-4-8-19(9-5-17)24(25,26)27/h4-5,7-12,15-16H,2-3,6,13-14H2,1H3,(H,28,31)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193678
PNG
(1-(6-{13-[4-(trifluoromethyl)phenyl]tridecanamido}...)
Show SMILES FC(F)(F)c1ccc(CCCCCCCCCCCCC(=O)Nc2ccc3nc(ccc3c2)[N+]23CCC(CC2)CC3)cc1
Show InChI InChI=1S/C36H46F3N3O/c37-36(38,39)31-16-13-28(14-17-31)11-9-7-5-3-1-2-4-6-8-10-12-35(43)40-32-18-19-33-30(27-32)15-20-34(41-33)42-24-21-29(22-25-42)23-26-42/h13-20,27,29H,1-12,21-26H2/p+1
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011717
PNG
(CHEMBL3262876)
Show SMILES O=C(COc1ccc2ccccc2c1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C24H24N2O3/c27-23(16-19-6-2-1-3-7-19)25-12-14-26(15-13-25)24(28)18-29-22-11-10-20-8-4-5-9-21(20)17-22/h1-11,17H,12-16,18H2
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n/an/a 5.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of 7-alpha,25-OHC-induced cell migration after 3 hrs by flow cytometr...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193617
PNG
((E)-N-(4-amino-2-neopentylquinolin-6-yl)-3-(4-(tri...)
Show SMILES CC(C)(C)Cc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C24H24F3N3O/c1-23(2,3)14-18-13-20(28)19-12-17(9-10-21(19)29-18)30-22(31)11-6-15-4-7-16(8-5-15)24(25,26)27/h4-13H,14H2,1-3H3,(H2,28,29)(H,30,31)/b11-6+
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n/an/a 5.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011701
PNG
(CHEMBL3262895)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21BrN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193615
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorop...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C21H20ClN3O/c1-2-3-16-13-19(23)18-12-17(9-10-20(18)24-16)25-21(26)11-6-14-4-7-15(22)8-5-14/h4-13H,2-3H2,1H3,(H2,23,24)(H,25,26)/b11-6+
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50193675
PNG
(CHEMBL385661 | N-(2-(3-(3-methylureido)pyrrolidin-...)
Show SMILES CNC(=O)NC1CCN(C1)c1ccc2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C25H26F3N5O2/c1-29-24(35)31-20-12-13-33(15-20)22-10-5-17-14-19(8-9-21(17)32-22)30-23(34)11-4-16-2-6-18(7-3-16)25(26,27)28/h2-3,5-10,14,20H,4,11-13,15H2,1H3,(H,30,34)(H2,29,31,35)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5270-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.006
BindingDB Entry DOI: 10.7270/Q2ZC82HP
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50241094
PNG
((E)-N-(4-amino-2-propylquinolin-6-yl)-3-(2,4-dichl...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C21H19Cl2N3O/c1-2-3-15-12-19(24)17-11-16(7-8-20(17)25-15)26-21(27)9-5-13-4-6-14(22)10-18(13)23/h4-12H,2-3H2,1H3,(H2,24,25)(H,26,27)/b9-5+
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n/an/a 6.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of 0.1 nM oxysterol-induced [35S]GTPgammaS bindi...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
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Ligand-Target Pair
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