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BDBM50134950 CHEMBL2370967::H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Arg-D-Nal(2')-Asp-Arg-Phe-Gly-NH2

SMILES: CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

InChI Key: InChIKey=AMDDROJLTSPHMK-BSLBVWNBSA-N

Data: 3 KI  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50134950   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134950
PNG
(CHEMBL2370967 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:8.22,91.97,wD:83.89,32.33,42.44,68.72,102.108,12.13,57.61,4.3,(.36,-20.35,;-.98,-19.59,;-.98,-18.08,;-2.32,-17.35,;-2.31,-15.84,;-3.66,-15.08,;-5.02,-15.82,;-5.03,-17.32,;-6.35,-15.06,;-7.72,-15.79,;-9.06,-15.03,;-9.06,-13.54,;-10.42,-15.79,;-11.76,-15.03,;-10.43,-17.29,;-9.08,-18.04,;-7.73,-17.3,;-6.38,-18.05,;-6.41,-19.56,;-5.05,-20.32,;-7.75,-20.31,;-9.08,-19.56,;-6.35,-13.55,;-7.69,-12.79,;-5,-12.81,;-.96,-15.09,;-.95,-13.58,;.39,-15.85,;1.74,-15.11,;3.08,-15.87,;3.06,-17.39,;4.45,-15.14,;5.79,-15.89,;5.44,-17.36,;5.44,-18.84,;4.02,-19.45,;4.16,-20.93,;5.68,-21.27,;6.48,-19.97,;7.13,-15.15,;7.16,-13.64,;8.48,-15.9,;9.83,-15.17,;9.83,-13.63,;9.42,-12.13,;10.52,-11.02,;10.11,-9.54,;8.61,-9.15,;8.2,-7.65,;6.69,-7.27,;5.62,-8.38,;6.02,-9.86,;7.53,-10.26,;7.94,-11.75,;11.19,-15.9,;11.17,-17.4,;12.53,-15.17,;13.87,-15.92,;13.87,-17.43,;15.21,-18.19,;15.2,-19.68,;16.54,-20.46,;16.53,-21.95,;17.88,-22.7,;15.18,-22.7,;15.24,-15.18,;15.24,-13.69,;16.57,-15.93,;17.94,-15.21,;17.94,-13.67,;17.53,-12.17,;18.64,-11.07,;18.22,-9.57,;16.72,-9.18,;16.3,-7.68,;14.8,-7.3,;13.71,-8.41,;14.13,-9.89,;15.61,-10.3,;16.04,-11.78,;19.27,-15.96,;19.26,-17.46,;20.63,-15.23,;21.98,-15.98,;21.97,-17.49,;23.28,-18.25,;24.65,-17.49,;23.28,-19.74,;23.33,-15.24,;23.34,-13.74,;24.68,-15.99,;26.02,-15.25,;26.03,-13.75,;27.4,-13.02,;27.41,-11.51,;28.75,-10.76,;28.78,-9.27,;30.11,-8.52,;27.43,-8.49,;27.37,-16.02,;27.37,-17.52,;28.72,-15.26,;30.07,-16.04,;30.05,-17.53,;31.39,-18.29,;32.76,-17.56,;34.09,-18.32,;34.09,-19.82,;32.73,-20.55,;31.39,-19.8,;31.42,-15.29,;31.44,-13.78,;32.76,-16.05,;34.12,-15.31,;35.46,-16.08,;36.82,-15.32,;35.46,-17.58,)|
Show InChI InChI=1S/C81H105N21O15/c1-4-5-21-58(97-79(117)69(46(2)3)102-70(108)57(82)36-48-26-30-56(103)31-27-48)71(109)92-44-67(105)94-64(40-55-42-88-45-93-55)77(115)100-62(38-49-24-28-51-17-9-11-19-53(51)34-49)75(113)95-60(23-14-33-90-81(86)87)74(112)99-63(39-50-25-29-52-18-10-12-20-54(52)35-50)76(114)101-65(41-68(106)107)78(116)96-59(22-13-32-89-80(84)85)73(111)98-61(72(110)91-43-66(83)104)37-47-15-7-6-8-16-47/h6-12,15-20,24-31,34-35,42,45-46,57-65,69,103H,4-5,13-14,21-23,32-33,36-41,43-44,82H2,1-3H3,(H2,83,104)(H,88,93)(H,91,110)(H,92,109)(H,94,105)(H,95,113)(H,96,116)(H,97,117)(H,98,111)(H,99,112)(H,100,115)(H,101,114)(H,102,108)(H,106,107)(H4,84,85,89)(H4,86,87,90)/t57-,58-,59-,60-,61-,62?,63?,64-,65-,69-/m0/s1
PDB

KEGG

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PubMed
4.60n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50134950
PNG
(CHEMBL2370967 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:8.22,91.97,wD:83.89,32.33,42.44,68.72,102.108,12.13,57.61,4.3,(.36,-20.35,;-.98,-19.59,;-.98,-18.08,;-2.32,-17.35,;-2.31,-15.84,;-3.66,-15.08,;-5.02,-15.82,;-5.03,-17.32,;-6.35,-15.06,;-7.72,-15.79,;-9.06,-15.03,;-9.06,-13.54,;-10.42,-15.79,;-11.76,-15.03,;-10.43,-17.29,;-9.08,-18.04,;-7.73,-17.3,;-6.38,-18.05,;-6.41,-19.56,;-5.05,-20.32,;-7.75,-20.31,;-9.08,-19.56,;-6.35,-13.55,;-7.69,-12.79,;-5,-12.81,;-.96,-15.09,;-.95,-13.58,;.39,-15.85,;1.74,-15.11,;3.08,-15.87,;3.06,-17.39,;4.45,-15.14,;5.79,-15.89,;5.44,-17.36,;5.44,-18.84,;4.02,-19.45,;4.16,-20.93,;5.68,-21.27,;6.48,-19.97,;7.13,-15.15,;7.16,-13.64,;8.48,-15.9,;9.83,-15.17,;9.83,-13.63,;9.42,-12.13,;10.52,-11.02,;10.11,-9.54,;8.61,-9.15,;8.2,-7.65,;6.69,-7.27,;5.62,-8.38,;6.02,-9.86,;7.53,-10.26,;7.94,-11.75,;11.19,-15.9,;11.17,-17.4,;12.53,-15.17,;13.87,-15.92,;13.87,-17.43,;15.21,-18.19,;15.2,-19.68,;16.54,-20.46,;16.53,-21.95,;17.88,-22.7,;15.18,-22.7,;15.24,-15.18,;15.24,-13.69,;16.57,-15.93,;17.94,-15.21,;17.94,-13.67,;17.53,-12.17,;18.64,-11.07,;18.22,-9.57,;16.72,-9.18,;16.3,-7.68,;14.8,-7.3,;13.71,-8.41,;14.13,-9.89,;15.61,-10.3,;16.04,-11.78,;19.27,-15.96,;19.26,-17.46,;20.63,-15.23,;21.98,-15.98,;21.97,-17.49,;23.28,-18.25,;24.65,-17.49,;23.28,-19.74,;23.33,-15.24,;23.34,-13.74,;24.68,-15.99,;26.02,-15.25,;26.03,-13.75,;27.4,-13.02,;27.41,-11.51,;28.75,-10.76,;28.78,-9.27,;30.11,-8.52,;27.43,-8.49,;27.37,-16.02,;27.37,-17.52,;28.72,-15.26,;30.07,-16.04,;30.05,-17.53,;31.39,-18.29,;32.76,-17.56,;34.09,-18.32,;34.09,-19.82,;32.73,-20.55,;31.39,-19.8,;31.42,-15.29,;31.44,-13.78,;32.76,-16.05,;34.12,-15.31,;35.46,-16.08,;36.82,-15.32,;35.46,-17.58,)|
Show InChI InChI=1S/C81H105N21O15/c1-4-5-21-58(97-79(117)69(46(2)3)102-70(108)57(82)36-48-26-30-56(103)31-27-48)71(109)92-44-67(105)94-64(40-55-42-88-45-93-55)77(115)100-62(38-49-24-28-51-17-9-11-19-53(51)34-49)75(113)95-60(23-14-33-90-81(86)87)74(112)99-63(39-50-25-29-52-18-10-12-20-54(52)35-50)76(114)101-65(41-68(106)107)78(116)96-59(22-13-32-89-80(84)85)73(111)98-61(72(110)91-43-66(83)104)37-47-15-7-6-8-16-47/h6-12,15-20,24-31,34-35,42,45-46,57-65,69,103H,4-5,13-14,21-23,32-33,36-41,43-44,82H2,1-3H3,(H2,83,104)(H,88,93)(H,91,110)(H,92,109)(H,94,105)(H,95,113)(H,96,116)(H,97,117)(H,98,111)(H,99,112)(H,100,115)(H,101,114)(H,102,108)(H,106,107)(H4,84,85,89)(H4,86,87,90)/t57-,58-,59-,60-,61-,62?,63?,64-,65-,69-/m0/s1
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Article
PubMed
12n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134950
PNG
(CHEMBL2370967 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:8.22,91.97,wD:83.89,32.33,42.44,68.72,102.108,12.13,57.61,4.3,(.36,-20.35,;-.98,-19.59,;-.98,-18.08,;-2.32,-17.35,;-2.31,-15.84,;-3.66,-15.08,;-5.02,-15.82,;-5.03,-17.32,;-6.35,-15.06,;-7.72,-15.79,;-9.06,-15.03,;-9.06,-13.54,;-10.42,-15.79,;-11.76,-15.03,;-10.43,-17.29,;-9.08,-18.04,;-7.73,-17.3,;-6.38,-18.05,;-6.41,-19.56,;-5.05,-20.32,;-7.75,-20.31,;-9.08,-19.56,;-6.35,-13.55,;-7.69,-12.79,;-5,-12.81,;-.96,-15.09,;-.95,-13.58,;.39,-15.85,;1.74,-15.11,;3.08,-15.87,;3.06,-17.39,;4.45,-15.14,;5.79,-15.89,;5.44,-17.36,;5.44,-18.84,;4.02,-19.45,;4.16,-20.93,;5.68,-21.27,;6.48,-19.97,;7.13,-15.15,;7.16,-13.64,;8.48,-15.9,;9.83,-15.17,;9.83,-13.63,;9.42,-12.13,;10.52,-11.02,;10.11,-9.54,;8.61,-9.15,;8.2,-7.65,;6.69,-7.27,;5.62,-8.38,;6.02,-9.86,;7.53,-10.26,;7.94,-11.75,;11.19,-15.9,;11.17,-17.4,;12.53,-15.17,;13.87,-15.92,;13.87,-17.43,;15.21,-18.19,;15.2,-19.68,;16.54,-20.46,;16.53,-21.95,;17.88,-22.7,;15.18,-22.7,;15.24,-15.18,;15.24,-13.69,;16.57,-15.93,;17.94,-15.21,;17.94,-13.67,;17.53,-12.17,;18.64,-11.07,;18.22,-9.57,;16.72,-9.18,;16.3,-7.68,;14.8,-7.3,;13.71,-8.41,;14.13,-9.89,;15.61,-10.3,;16.04,-11.78,;19.27,-15.96,;19.26,-17.46,;20.63,-15.23,;21.98,-15.98,;21.97,-17.49,;23.28,-18.25,;24.65,-17.49,;23.28,-19.74,;23.33,-15.24,;23.34,-13.74,;24.68,-15.99,;26.02,-15.25,;26.03,-13.75,;27.4,-13.02,;27.41,-11.51,;28.75,-10.76,;28.78,-9.27,;30.11,-8.52,;27.43,-8.49,;27.37,-16.02,;27.37,-17.52,;28.72,-15.26,;30.07,-16.04,;30.05,-17.53,;31.39,-18.29,;32.76,-17.56,;34.09,-18.32,;34.09,-19.82,;32.73,-20.55,;31.39,-19.8,;31.42,-15.29,;31.44,-13.78,;32.76,-16.05,;34.12,-15.31,;35.46,-16.08,;36.82,-15.32,;35.46,-17.58,)|
Show InChI InChI=1S/C81H105N21O15/c1-4-5-21-58(97-79(117)69(46(2)3)102-70(108)57(82)36-48-26-30-56(103)31-27-48)71(109)92-44-67(105)94-64(40-55-42-88-45-93-55)77(115)100-62(38-49-24-28-51-17-9-11-19-53(51)34-49)75(113)95-60(23-14-33-90-81(86)87)74(112)99-63(39-50-25-29-52-18-10-12-20-54(52)35-50)76(114)101-65(41-68(106)107)78(116)96-59(22-13-32-89-80(84)85)73(111)98-61(72(110)91-43-66(83)104)37-47-15-7-6-8-16-47/h6-12,15-20,24-31,34-35,42,45-46,57-65,69,103H,4-5,13-14,21-23,32-33,36-41,43-44,82H2,1-3H3,(H2,83,104)(H,88,93)(H,91,110)(H,92,109)(H,94,105)(H,95,113)(H,96,116)(H,97,117)(H,98,111)(H,99,112)(H,100,115)(H,101,114)(H,102,108)(H,106,107)(H4,84,85,89)(H4,86,87,90)/t57-,58-,59-,60-,61-,62?,63?,64-,65-,69-/m0/s1
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PubMed
>4.80E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50134950
PNG
(CHEMBL2370967 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:8.22,91.97,wD:83.89,32.33,42.44,68.72,102.108,12.13,57.61,4.3,(.36,-20.35,;-.98,-19.59,;-.98,-18.08,;-2.32,-17.35,;-2.31,-15.84,;-3.66,-15.08,;-5.02,-15.82,;-5.03,-17.32,;-6.35,-15.06,;-7.72,-15.79,;-9.06,-15.03,;-9.06,-13.54,;-10.42,-15.79,;-11.76,-15.03,;-10.43,-17.29,;-9.08,-18.04,;-7.73,-17.3,;-6.38,-18.05,;-6.41,-19.56,;-5.05,-20.32,;-7.75,-20.31,;-9.08,-19.56,;-6.35,-13.55,;-7.69,-12.79,;-5,-12.81,;-.96,-15.09,;-.95,-13.58,;.39,-15.85,;1.74,-15.11,;3.08,-15.87,;3.06,-17.39,;4.45,-15.14,;5.79,-15.89,;5.44,-17.36,;5.44,-18.84,;4.02,-19.45,;4.16,-20.93,;5.68,-21.27,;6.48,-19.97,;7.13,-15.15,;7.16,-13.64,;8.48,-15.9,;9.83,-15.17,;9.83,-13.63,;9.42,-12.13,;10.52,-11.02,;10.11,-9.54,;8.61,-9.15,;8.2,-7.65,;6.69,-7.27,;5.62,-8.38,;6.02,-9.86,;7.53,-10.26,;7.94,-11.75,;11.19,-15.9,;11.17,-17.4,;12.53,-15.17,;13.87,-15.92,;13.87,-17.43,;15.21,-18.19,;15.2,-19.68,;16.54,-20.46,;16.53,-21.95,;17.88,-22.7,;15.18,-22.7,;15.24,-15.18,;15.24,-13.69,;16.57,-15.93,;17.94,-15.21,;17.94,-13.67,;17.53,-12.17,;18.64,-11.07,;18.22,-9.57,;16.72,-9.18,;16.3,-7.68,;14.8,-7.3,;13.71,-8.41,;14.13,-9.89,;15.61,-10.3,;16.04,-11.78,;19.27,-15.96,;19.26,-17.46,;20.63,-15.23,;21.98,-15.98,;21.97,-17.49,;23.28,-18.25,;24.65,-17.49,;23.28,-19.74,;23.33,-15.24,;23.34,-13.74,;24.68,-15.99,;26.02,-15.25,;26.03,-13.75,;27.4,-13.02,;27.41,-11.51,;28.75,-10.76,;28.78,-9.27,;30.11,-8.52,;27.43,-8.49,;27.37,-16.02,;27.37,-17.52,;28.72,-15.26,;30.07,-16.04,;30.05,-17.53,;31.39,-18.29,;32.76,-17.56,;34.09,-18.32,;34.09,-19.82,;32.73,-20.55,;31.39,-19.8,;31.42,-15.29,;31.44,-13.78,;32.76,-16.05,;34.12,-15.31,;35.46,-16.08,;36.82,-15.32,;35.46,-17.58,)|
Show InChI InChI=1S/C81H105N21O15/c1-4-5-21-58(97-79(117)69(46(2)3)102-70(108)57(82)36-48-26-30-56(103)31-27-48)71(109)92-44-67(105)94-64(40-55-42-88-45-93-55)77(115)100-62(38-49-24-28-51-17-9-11-19-53(51)34-49)75(113)95-60(23-14-33-90-81(86)87)74(112)99-63(39-50-25-29-52-18-10-12-20-54(52)35-50)76(114)101-65(41-68(106)107)78(116)96-59(22-13-32-89-80(84)85)73(111)98-61(72(110)91-43-66(83)104)37-47-15-7-6-8-16-47/h6-12,15-20,24-31,34-35,42,45-46,57-65,69,103H,4-5,13-14,21-23,32-33,36-41,43-44,82H2,1-3H3,(H2,83,104)(H,88,93)(H,91,110)(H,92,109)(H,94,105)(H,95,113)(H,96,116)(H,97,117)(H,98,111)(H,99,112)(H,100,115)(H,101,114)(H,102,108)(H,106,107)(H4,84,85,89)(H4,86,87,90)/t57-,58-,59-,60-,61-,62?,63?,64-,65-,69-/m0/s1
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Article
PubMed
n/an/an/an/a 12n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Intracellular cAMP accumulation in human Melanocortin 3 receptor functional assay.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134950
PNG
(CHEMBL2370967 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:8.22,91.97,wD:83.89,32.33,42.44,68.72,102.108,12.13,57.61,4.3,(.36,-20.35,;-.98,-19.59,;-.98,-18.08,;-2.32,-17.35,;-2.31,-15.84,;-3.66,-15.08,;-5.02,-15.82,;-5.03,-17.32,;-6.35,-15.06,;-7.72,-15.79,;-9.06,-15.03,;-9.06,-13.54,;-10.42,-15.79,;-11.76,-15.03,;-10.43,-17.29,;-9.08,-18.04,;-7.73,-17.3,;-6.38,-18.05,;-6.41,-19.56,;-5.05,-20.32,;-7.75,-20.31,;-9.08,-19.56,;-6.35,-13.55,;-7.69,-12.79,;-5,-12.81,;-.96,-15.09,;-.95,-13.58,;.39,-15.85,;1.74,-15.11,;3.08,-15.87,;3.06,-17.39,;4.45,-15.14,;5.79,-15.89,;5.44,-17.36,;5.44,-18.84,;4.02,-19.45,;4.16,-20.93,;5.68,-21.27,;6.48,-19.97,;7.13,-15.15,;7.16,-13.64,;8.48,-15.9,;9.83,-15.17,;9.83,-13.63,;9.42,-12.13,;10.52,-11.02,;10.11,-9.54,;8.61,-9.15,;8.2,-7.65,;6.69,-7.27,;5.62,-8.38,;6.02,-9.86,;7.53,-10.26,;7.94,-11.75,;11.19,-15.9,;11.17,-17.4,;12.53,-15.17,;13.87,-15.92,;13.87,-17.43,;15.21,-18.19,;15.2,-19.68,;16.54,-20.46,;16.53,-21.95,;17.88,-22.7,;15.18,-22.7,;15.24,-15.18,;15.24,-13.69,;16.57,-15.93,;17.94,-15.21,;17.94,-13.67,;17.53,-12.17,;18.64,-11.07,;18.22,-9.57,;16.72,-9.18,;16.3,-7.68,;14.8,-7.3,;13.71,-8.41,;14.13,-9.89,;15.61,-10.3,;16.04,-11.78,;19.27,-15.96,;19.26,-17.46,;20.63,-15.23,;21.98,-15.98,;21.97,-17.49,;23.28,-18.25,;24.65,-17.49,;23.28,-19.74,;23.33,-15.24,;23.34,-13.74,;24.68,-15.99,;26.02,-15.25,;26.03,-13.75,;27.4,-13.02,;27.41,-11.51,;28.75,-10.76,;28.78,-9.27,;30.11,-8.52,;27.43,-8.49,;27.37,-16.02,;27.37,-17.52,;28.72,-15.26,;30.07,-16.04,;30.05,-17.53,;31.39,-18.29,;32.76,-17.56,;34.09,-18.32,;34.09,-19.82,;32.73,-20.55,;31.39,-19.8,;31.42,-15.29,;31.44,-13.78,;32.76,-16.05,;34.12,-15.31,;35.46,-16.08,;36.82,-15.32,;35.46,-17.58,)|
Show InChI InChI=1S/C81H105N21O15/c1-4-5-21-58(97-79(117)69(46(2)3)102-70(108)57(82)36-48-26-30-56(103)31-27-48)71(109)92-44-67(105)94-64(40-55-42-88-45-93-55)77(115)100-62(38-49-24-28-51-17-9-11-19-53(51)34-49)75(113)95-60(23-14-33-90-81(86)87)74(112)99-63(39-50-25-29-52-18-10-12-20-54(52)35-50)76(114)101-65(41-68(106)107)78(116)96-59(22-13-32-89-80(84)85)73(111)98-61(72(110)91-43-66(83)104)37-47-15-7-6-8-16-47/h6-12,15-20,24-31,34-35,42,45-46,57-65,69,103H,4-5,13-14,21-23,32-33,36-41,43-44,82H2,1-3H3,(H2,83,104)(H,88,93)(H,91,110)(H,92,109)(H,94,105)(H,95,113)(H,96,116)(H,97,117)(H,98,111)(H,99,112)(H,100,115)(H,101,114)(H,102,108)(H,106,107)(H4,84,85,89)(H4,86,87,90)/t57-,58-,59-,60-,61-,62?,63?,64-,65-,69-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 44n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Intracellular cAMP accumulation in Melanocortin 4 receptor functional assay.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50134950
PNG
(CHEMBL2370967 | H-Tyr-Val-Nle-Gly-His-D-Nal(2')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:8.22,91.97,wD:83.89,32.33,42.44,68.72,102.108,12.13,57.61,4.3,(.36,-20.35,;-.98,-19.59,;-.98,-18.08,;-2.32,-17.35,;-2.31,-15.84,;-3.66,-15.08,;-5.02,-15.82,;-5.03,-17.32,;-6.35,-15.06,;-7.72,-15.79,;-9.06,-15.03,;-9.06,-13.54,;-10.42,-15.79,;-11.76,-15.03,;-10.43,-17.29,;-9.08,-18.04,;-7.73,-17.3,;-6.38,-18.05,;-6.41,-19.56,;-5.05,-20.32,;-7.75,-20.31,;-9.08,-19.56,;-6.35,-13.55,;-7.69,-12.79,;-5,-12.81,;-.96,-15.09,;-.95,-13.58,;.39,-15.85,;1.74,-15.11,;3.08,-15.87,;3.06,-17.39,;4.45,-15.14,;5.79,-15.89,;5.44,-17.36,;5.44,-18.84,;4.02,-19.45,;4.16,-20.93,;5.68,-21.27,;6.48,-19.97,;7.13,-15.15,;7.16,-13.64,;8.48,-15.9,;9.83,-15.17,;9.83,-13.63,;9.42,-12.13,;10.52,-11.02,;10.11,-9.54,;8.61,-9.15,;8.2,-7.65,;6.69,-7.27,;5.62,-8.38,;6.02,-9.86,;7.53,-10.26,;7.94,-11.75,;11.19,-15.9,;11.17,-17.4,;12.53,-15.17,;13.87,-15.92,;13.87,-17.43,;15.21,-18.19,;15.2,-19.68,;16.54,-20.46,;16.53,-21.95,;17.88,-22.7,;15.18,-22.7,;15.24,-15.18,;15.24,-13.69,;16.57,-15.93,;17.94,-15.21,;17.94,-13.67,;17.53,-12.17,;18.64,-11.07,;18.22,-9.57,;16.72,-9.18,;16.3,-7.68,;14.8,-7.3,;13.71,-8.41,;14.13,-9.89,;15.61,-10.3,;16.04,-11.78,;19.27,-15.96,;19.26,-17.46,;20.63,-15.23,;21.98,-15.98,;21.97,-17.49,;23.28,-18.25,;24.65,-17.49,;23.28,-19.74,;23.33,-15.24,;23.34,-13.74,;24.68,-15.99,;26.02,-15.25,;26.03,-13.75,;27.4,-13.02,;27.41,-11.51,;28.75,-10.76,;28.78,-9.27,;30.11,-8.52,;27.43,-8.49,;27.37,-16.02,;27.37,-17.52,;28.72,-15.26,;30.07,-16.04,;30.05,-17.53,;31.39,-18.29,;32.76,-17.56,;34.09,-18.32,;34.09,-19.82,;32.73,-20.55,;31.39,-19.8,;31.42,-15.29,;31.44,-13.78,;32.76,-16.05,;34.12,-15.31,;35.46,-16.08,;36.82,-15.32,;35.46,-17.58,)|
Show InChI InChI=1S/C81H105N21O15/c1-4-5-21-58(97-79(117)69(46(2)3)102-70(108)57(82)36-48-26-30-56(103)31-27-48)71(109)92-44-67(105)94-64(40-55-42-88-45-93-55)77(115)100-62(38-49-24-28-51-17-9-11-19-53(51)34-49)75(113)95-60(23-14-33-90-81(86)87)74(112)99-63(39-50-25-29-52-18-10-12-20-54(52)35-50)76(114)101-65(41-68(106)107)78(116)96-59(22-13-32-89-80(84)85)73(111)98-61(72(110)91-43-66(83)104)37-47-15-7-6-8-16-47/h6-12,15-20,24-31,34-35,42,45-46,57-65,69,103H,4-5,13-14,21-23,32-33,36-41,43-44,82H2,1-3H3,(H2,83,104)(H,88,93)(H,91,110)(H,92,109)(H,94,105)(H,95,113)(H,96,116)(H,97,117)(H,98,111)(H,99,112)(H,100,115)(H,101,114)(H,102,108)(H,106,107)(H4,84,85,89)(H4,86,87,90)/t57-,58-,59-,60-,61-,62?,63?,64-,65-,69-/m0/s1
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Intracellular cAMP accumulation in human Melanocortin 5 receptor functional assay.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair