new BindingDB logo
myBDB logout

BDBM50389774 CHEMBL2070247

SMILES: CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O

InChI Key: InChIKey=QBPUPEUBMHTUDK-QGCUPYRHSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50389774   
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))
BDBM50389774
PNG
(CHEMBL2070247)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:76.77,126.136,115.119,104.108,86.140,33.36,24.30,wD:8.10,4.4,90.92,128.133,14.21,(28.38,-21.15,;29.18,-19.83,;28.43,-18.48,;29.23,-17.16,;28.47,-15.81,;26.94,-15.79,;26.19,-14.45,;26.98,-13.12,;24.65,-14.42,;23.86,-15.74,;22.31,-15.71,;23.9,-13.07,;24.69,-11.75,;26.23,-11.78,;23.94,-10.41,;22.41,-10.38,;21.61,-11.7,;22.21,-13.12,;21.06,-14.13,;19.73,-13.34,;20.08,-11.84,;24.73,-9.09,;23.98,-7.74,;22.45,-7.71,;24.77,-6.42,;26.32,-6.45,;27.11,-5.12,;28.65,-5.15,;29.39,-6.5,;29.44,-3.83,;24.03,-5.07,;24.82,-3.75,;26.36,-3.78,;24.07,-2.41,;24.86,-1.09,;26.4,-1.11,;22.53,-2.38,;21.78,-1.04,;22.57,.29,;20.24,-1.01,;19.5,.34,;20.29,1.66,;21.83,1.63,;19.54,3,;20.34,4.32,;21.88,4.3,;22.62,2.95,;24.16,2.92,;24.91,1.58,;26.45,1.55,;27.24,2.87,;28.78,2.84,;29.53,1.49,;29.57,4.16,;31.11,4.13,;31.86,2.79,;33.4,2.76,;34.15,1.41,;35.69,1.39,;36.43,.04,;37.97,.01,;38.72,-1.34,;40.26,-1.36,;41.05,-.04,;40.31,1.3,;41.1,2.62,;40.35,3.97,;41.15,5.29,;40.4,6.64,;38.86,6.83,;38.58,8.33,;39.91,9.08,;41.05,8.03,;29.27,-14.5,;28.52,-13.15,;30.81,-14.52,;31.6,-13.2,;31.02,-11.77,;32.07,-10.15,;32.05,-1.84,;30.96,-.75,;54.04,-1.78,;54.01,-6.98,;52.66,-7.73,;52.63,-9.27,;51.29,-10.02,;51.27,-11.57,;49.93,-12.31,;48.6,-11.52,;48.62,-9.99,;47.26,-12.28,;47.24,-13.82,;48.55,-14.6,;49.97,-14,;50.99,-15.16,;50.2,-16.48,;50.65,-17.95,;49.6,-19.08,;48.1,-18.74,;47.65,-17.27,;48.69,-16.14,;45.93,-11.49,;44.59,-12.24,;44.57,-13.77,;43.26,-11.45,;43.29,-9.91,;44.63,-9.15,;44.66,-7.62,;46,-6.87,;46.02,-5.33,;44.7,-4.54,;47.37,-4.58,;41.92,-12.19,;40.6,-11.41,;40.62,-9.87,;39.26,-12.16,;39.23,-13.7,;40.56,-14.49,;41.9,-13.74,;43.22,-14.53,;43.2,-16.06,;41.86,-16.82,;40.54,-16.03,;37.94,-11.37,;36.59,-12.12,;36.57,-13.66,;35.27,-11.33,;35.37,-9.78,;33.73,-9.42,;33.05,-7.89,;32.88,-10.87,;33.99,-12.14,;33.13,-13.42,;33.79,-14.8,;52.59,-12.36,;53.94,-11.6,;52.57,-13.89,)|
Show InChI InChI=1S/C90H138N26O21/c1-2-3-28-63(80(126)107-66-35-37-76(122)96-38-23-22-30-62(79(92)125)103-84(130)68(45-57-48-99-61-29-21-20-27-60(57)61)108-81(127)64(31-24-39-98-90(93)94)104-83(129)67(44-56-25-16-15-17-26-56)110-88(134)72-47-59(119)51-116(72)89(66)135)105-87(133)71(53-118)111-85(131)69(46-58-49-95-55-101-58)109-82(128)65(34-36-73(91)120)106-86(132)70(52-117)102-77(123)50-100-78(124)54-137-43-42-136-41-40-97-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-112-114-115-113-74/h15-17,20-21,25-27,29,48-49,55,59,62-72,99,117-119H,2-14,18-19,22-24,28,30-47,50-54H2,1H3,(H2,91,120)(H2,92,125)(H,95,101)(H,96,122)(H,97,121)(H,100,124)(H,102,123)(H,103,130)(H,104,129)(H,105,133)(H,106,132)(H,107,126)(H,108,127)(H,109,128)(H,110,134)(H,111,131)(H4,93,94,98)(H,112,113,114,115)/t59-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389774
PNG
(CHEMBL2070247)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:76.77,126.136,115.119,104.108,86.140,33.36,24.30,wD:8.10,4.4,90.92,128.133,14.21,(28.38,-21.15,;29.18,-19.83,;28.43,-18.48,;29.23,-17.16,;28.47,-15.81,;26.94,-15.79,;26.19,-14.45,;26.98,-13.12,;24.65,-14.42,;23.86,-15.74,;22.31,-15.71,;23.9,-13.07,;24.69,-11.75,;26.23,-11.78,;23.94,-10.41,;22.41,-10.38,;21.61,-11.7,;22.21,-13.12,;21.06,-14.13,;19.73,-13.34,;20.08,-11.84,;24.73,-9.09,;23.98,-7.74,;22.45,-7.71,;24.77,-6.42,;26.32,-6.45,;27.11,-5.12,;28.65,-5.15,;29.39,-6.5,;29.44,-3.83,;24.03,-5.07,;24.82,-3.75,;26.36,-3.78,;24.07,-2.41,;24.86,-1.09,;26.4,-1.11,;22.53,-2.38,;21.78,-1.04,;22.57,.29,;20.24,-1.01,;19.5,.34,;20.29,1.66,;21.83,1.63,;19.54,3,;20.34,4.32,;21.88,4.3,;22.62,2.95,;24.16,2.92,;24.91,1.58,;26.45,1.55,;27.24,2.87,;28.78,2.84,;29.53,1.49,;29.57,4.16,;31.11,4.13,;31.86,2.79,;33.4,2.76,;34.15,1.41,;35.69,1.39,;36.43,.04,;37.97,.01,;38.72,-1.34,;40.26,-1.36,;41.05,-.04,;40.31,1.3,;41.1,2.62,;40.35,3.97,;41.15,5.29,;40.4,6.64,;38.86,6.83,;38.58,8.33,;39.91,9.08,;41.05,8.03,;29.27,-14.5,;28.52,-13.15,;30.81,-14.52,;31.6,-13.2,;31.02,-11.77,;32.07,-10.15,;32.05,-1.84,;30.96,-.75,;54.04,-1.78,;54.01,-6.98,;52.66,-7.73,;52.63,-9.27,;51.29,-10.02,;51.27,-11.57,;49.93,-12.31,;48.6,-11.52,;48.62,-9.99,;47.26,-12.28,;47.24,-13.82,;48.55,-14.6,;49.97,-14,;50.99,-15.16,;50.2,-16.48,;50.65,-17.95,;49.6,-19.08,;48.1,-18.74,;47.65,-17.27,;48.69,-16.14,;45.93,-11.49,;44.59,-12.24,;44.57,-13.77,;43.26,-11.45,;43.29,-9.91,;44.63,-9.15,;44.66,-7.62,;46,-6.87,;46.02,-5.33,;44.7,-4.54,;47.37,-4.58,;41.92,-12.19,;40.6,-11.41,;40.62,-9.87,;39.26,-12.16,;39.23,-13.7,;40.56,-14.49,;41.9,-13.74,;43.22,-14.53,;43.2,-16.06,;41.86,-16.82,;40.54,-16.03,;37.94,-11.37,;36.59,-12.12,;36.57,-13.66,;35.27,-11.33,;35.37,-9.78,;33.73,-9.42,;33.05,-7.89,;32.88,-10.87,;33.99,-12.14,;33.13,-13.42,;33.79,-14.8,;52.59,-12.36,;53.94,-11.6,;52.57,-13.89,)|
Show InChI InChI=1S/C90H138N26O21/c1-2-3-28-63(80(126)107-66-35-37-76(122)96-38-23-22-30-62(79(92)125)103-84(130)68(45-57-48-99-61-29-21-20-27-60(57)61)108-81(127)64(31-24-39-98-90(93)94)104-83(129)67(44-56-25-16-15-17-26-56)110-88(134)72-47-59(119)51-116(72)89(66)135)105-87(133)71(53-118)111-85(131)69(46-58-49-95-55-101-58)109-82(128)65(34-36-73(91)120)106-86(132)70(52-117)102-77(123)50-100-78(124)54-137-43-42-136-41-40-97-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-112-114-115-113-74/h15-17,20-21,25-27,29,48-49,55,59,62-72,99,117-119H,2-14,18-19,22-24,28,30-47,50-54H2,1H3,(H2,91,120)(H2,92,125)(H,95,101)(H,96,122)(H,97,121)(H,100,124)(H,102,123)(H,103,130)(H,104,129)(H,105,133)(H,106,132)(H,107,126)(H,108,127)(H,109,128)(H,110,134)(H,111,131)(H4,93,94,98)(H,112,113,114,115)/t59-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50389774
PNG
(CHEMBL2070247)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:76.77,126.136,115.119,104.108,86.140,33.36,24.30,wD:8.10,4.4,90.92,128.133,14.21,(28.38,-21.15,;29.18,-19.83,;28.43,-18.48,;29.23,-17.16,;28.47,-15.81,;26.94,-15.79,;26.19,-14.45,;26.98,-13.12,;24.65,-14.42,;23.86,-15.74,;22.31,-15.71,;23.9,-13.07,;24.69,-11.75,;26.23,-11.78,;23.94,-10.41,;22.41,-10.38,;21.61,-11.7,;22.21,-13.12,;21.06,-14.13,;19.73,-13.34,;20.08,-11.84,;24.73,-9.09,;23.98,-7.74,;22.45,-7.71,;24.77,-6.42,;26.32,-6.45,;27.11,-5.12,;28.65,-5.15,;29.39,-6.5,;29.44,-3.83,;24.03,-5.07,;24.82,-3.75,;26.36,-3.78,;24.07,-2.41,;24.86,-1.09,;26.4,-1.11,;22.53,-2.38,;21.78,-1.04,;22.57,.29,;20.24,-1.01,;19.5,.34,;20.29,1.66,;21.83,1.63,;19.54,3,;20.34,4.32,;21.88,4.3,;22.62,2.95,;24.16,2.92,;24.91,1.58,;26.45,1.55,;27.24,2.87,;28.78,2.84,;29.53,1.49,;29.57,4.16,;31.11,4.13,;31.86,2.79,;33.4,2.76,;34.15,1.41,;35.69,1.39,;36.43,.04,;37.97,.01,;38.72,-1.34,;40.26,-1.36,;41.05,-.04,;40.31,1.3,;41.1,2.62,;40.35,3.97,;41.15,5.29,;40.4,6.64,;38.86,6.83,;38.58,8.33,;39.91,9.08,;41.05,8.03,;29.27,-14.5,;28.52,-13.15,;30.81,-14.52,;31.6,-13.2,;31.02,-11.77,;32.07,-10.15,;32.05,-1.84,;30.96,-.75,;54.04,-1.78,;54.01,-6.98,;52.66,-7.73,;52.63,-9.27,;51.29,-10.02,;51.27,-11.57,;49.93,-12.31,;48.6,-11.52,;48.62,-9.99,;47.26,-12.28,;47.24,-13.82,;48.55,-14.6,;49.97,-14,;50.99,-15.16,;50.2,-16.48,;50.65,-17.95,;49.6,-19.08,;48.1,-18.74,;47.65,-17.27,;48.69,-16.14,;45.93,-11.49,;44.59,-12.24,;44.57,-13.77,;43.26,-11.45,;43.29,-9.91,;44.63,-9.15,;44.66,-7.62,;46,-6.87,;46.02,-5.33,;44.7,-4.54,;47.37,-4.58,;41.92,-12.19,;40.6,-11.41,;40.62,-9.87,;39.26,-12.16,;39.23,-13.7,;40.56,-14.49,;41.9,-13.74,;43.22,-14.53,;43.2,-16.06,;41.86,-16.82,;40.54,-16.03,;37.94,-11.37,;36.59,-12.12,;36.57,-13.66,;35.27,-11.33,;35.37,-9.78,;33.73,-9.42,;33.05,-7.89,;32.88,-10.87,;33.99,-12.14,;33.13,-13.42,;33.79,-14.8,;52.59,-12.36,;53.94,-11.6,;52.57,-13.89,)|
Show InChI InChI=1S/C90H138N26O21/c1-2-3-28-63(80(126)107-66-35-37-76(122)96-38-23-22-30-62(79(92)125)103-84(130)68(45-57-48-99-61-29-21-20-27-60(57)61)108-81(127)64(31-24-39-98-90(93)94)104-83(129)67(44-56-25-16-15-17-26-56)110-88(134)72-47-59(119)51-116(72)89(66)135)105-87(133)71(53-118)111-85(131)69(46-58-49-95-55-101-58)109-82(128)65(34-36-73(91)120)106-86(132)70(52-117)102-77(123)50-100-78(124)54-137-43-42-136-41-40-97-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-112-114-115-113-74/h15-17,20-21,25-27,29,48-49,55,59,62-72,99,117-119H,2-14,18-19,22-24,28,30-47,50-54H2,1H3,(H2,91,120)(H2,92,125)(H,95,101)(H,96,122)(H,97,121)(H,100,124)(H,102,123)(H,103,130)(H,104,129)(H,105,133)(H,106,132)(H,107,126)(H,108,127)(H,109,128)(H,110,134)(H,111,131)(H4,93,94,98)(H,112,113,114,115)/t59-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
67n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50389774
PNG
(CHEMBL2070247)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:76.77,126.136,115.119,104.108,86.140,33.36,24.30,wD:8.10,4.4,90.92,128.133,14.21,(28.38,-21.15,;29.18,-19.83,;28.43,-18.48,;29.23,-17.16,;28.47,-15.81,;26.94,-15.79,;26.19,-14.45,;26.98,-13.12,;24.65,-14.42,;23.86,-15.74,;22.31,-15.71,;23.9,-13.07,;24.69,-11.75,;26.23,-11.78,;23.94,-10.41,;22.41,-10.38,;21.61,-11.7,;22.21,-13.12,;21.06,-14.13,;19.73,-13.34,;20.08,-11.84,;24.73,-9.09,;23.98,-7.74,;22.45,-7.71,;24.77,-6.42,;26.32,-6.45,;27.11,-5.12,;28.65,-5.15,;29.39,-6.5,;29.44,-3.83,;24.03,-5.07,;24.82,-3.75,;26.36,-3.78,;24.07,-2.41,;24.86,-1.09,;26.4,-1.11,;22.53,-2.38,;21.78,-1.04,;22.57,.29,;20.24,-1.01,;19.5,.34,;20.29,1.66,;21.83,1.63,;19.54,3,;20.34,4.32,;21.88,4.3,;22.62,2.95,;24.16,2.92,;24.91,1.58,;26.45,1.55,;27.24,2.87,;28.78,2.84,;29.53,1.49,;29.57,4.16,;31.11,4.13,;31.86,2.79,;33.4,2.76,;34.15,1.41,;35.69,1.39,;36.43,.04,;37.97,.01,;38.72,-1.34,;40.26,-1.36,;41.05,-.04,;40.31,1.3,;41.1,2.62,;40.35,3.97,;41.15,5.29,;40.4,6.64,;38.86,6.83,;38.58,8.33,;39.91,9.08,;41.05,8.03,;29.27,-14.5,;28.52,-13.15,;30.81,-14.52,;31.6,-13.2,;31.02,-11.77,;32.07,-10.15,;32.05,-1.84,;30.96,-.75,;54.04,-1.78,;54.01,-6.98,;52.66,-7.73,;52.63,-9.27,;51.29,-10.02,;51.27,-11.57,;49.93,-12.31,;48.6,-11.52,;48.62,-9.99,;47.26,-12.28,;47.24,-13.82,;48.55,-14.6,;49.97,-14,;50.99,-15.16,;50.2,-16.48,;50.65,-17.95,;49.6,-19.08,;48.1,-18.74,;47.65,-17.27,;48.69,-16.14,;45.93,-11.49,;44.59,-12.24,;44.57,-13.77,;43.26,-11.45,;43.29,-9.91,;44.63,-9.15,;44.66,-7.62,;46,-6.87,;46.02,-5.33,;44.7,-4.54,;47.37,-4.58,;41.92,-12.19,;40.6,-11.41,;40.62,-9.87,;39.26,-12.16,;39.23,-13.7,;40.56,-14.49,;41.9,-13.74,;43.22,-14.53,;43.2,-16.06,;41.86,-16.82,;40.54,-16.03,;37.94,-11.37,;36.59,-12.12,;36.57,-13.66,;35.27,-11.33,;35.37,-9.78,;33.73,-9.42,;33.05,-7.89,;32.88,-10.87,;33.99,-12.14,;33.13,-13.42,;33.79,-14.8,;52.59,-12.36,;53.94,-11.6,;52.57,-13.89,)|
Show InChI InChI=1S/C90H138N26O21/c1-2-3-28-63(80(126)107-66-35-37-76(122)96-38-23-22-30-62(79(92)125)103-84(130)68(45-57-48-99-61-29-21-20-27-60(57)61)108-81(127)64(31-24-39-98-90(93)94)104-83(129)67(44-56-25-16-15-17-26-56)110-88(134)72-47-59(119)51-116(72)89(66)135)105-87(133)71(53-118)111-85(131)69(46-58-49-95-55-101-58)109-82(128)65(34-36-73(91)120)106-86(132)70(52-117)102-77(123)50-100-78(124)54-137-43-42-136-41-40-97-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-112-114-115-113-74/h15-17,20-21,25-27,29,48-49,55,59,62-72,99,117-119H,2-14,18-19,22-24,28,30-47,50-54H2,1H3,(H2,91,120)(H2,92,125)(H,95,101)(H,96,122)(H,97,121)(H,100,124)(H,102,123)(H,103,130)(H,104,129)(H,105,133)(H,106,132)(H,107,126)(H,108,127)(H,109,128)(H,110,134)(H,111,131)(H4,93,94,98)(H,112,113,114,115)/t59-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor expressed in BHK570 cells after 90 mins in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389774
PNG
(CHEMBL2070247)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:76.77,126.136,115.119,104.108,86.140,33.36,24.30,wD:8.10,4.4,90.92,128.133,14.21,(28.38,-21.15,;29.18,-19.83,;28.43,-18.48,;29.23,-17.16,;28.47,-15.81,;26.94,-15.79,;26.19,-14.45,;26.98,-13.12,;24.65,-14.42,;23.86,-15.74,;22.31,-15.71,;23.9,-13.07,;24.69,-11.75,;26.23,-11.78,;23.94,-10.41,;22.41,-10.38,;21.61,-11.7,;22.21,-13.12,;21.06,-14.13,;19.73,-13.34,;20.08,-11.84,;24.73,-9.09,;23.98,-7.74,;22.45,-7.71,;24.77,-6.42,;26.32,-6.45,;27.11,-5.12,;28.65,-5.15,;29.39,-6.5,;29.44,-3.83,;24.03,-5.07,;24.82,-3.75,;26.36,-3.78,;24.07,-2.41,;24.86,-1.09,;26.4,-1.11,;22.53,-2.38,;21.78,-1.04,;22.57,.29,;20.24,-1.01,;19.5,.34,;20.29,1.66,;21.83,1.63,;19.54,3,;20.34,4.32,;21.88,4.3,;22.62,2.95,;24.16,2.92,;24.91,1.58,;26.45,1.55,;27.24,2.87,;28.78,2.84,;29.53,1.49,;29.57,4.16,;31.11,4.13,;31.86,2.79,;33.4,2.76,;34.15,1.41,;35.69,1.39,;36.43,.04,;37.97,.01,;38.72,-1.34,;40.26,-1.36,;41.05,-.04,;40.31,1.3,;41.1,2.62,;40.35,3.97,;41.15,5.29,;40.4,6.64,;38.86,6.83,;38.58,8.33,;39.91,9.08,;41.05,8.03,;29.27,-14.5,;28.52,-13.15,;30.81,-14.52,;31.6,-13.2,;31.02,-11.77,;32.07,-10.15,;32.05,-1.84,;30.96,-.75,;54.04,-1.78,;54.01,-6.98,;52.66,-7.73,;52.63,-9.27,;51.29,-10.02,;51.27,-11.57,;49.93,-12.31,;48.6,-11.52,;48.62,-9.99,;47.26,-12.28,;47.24,-13.82,;48.55,-14.6,;49.97,-14,;50.99,-15.16,;50.2,-16.48,;50.65,-17.95,;49.6,-19.08,;48.1,-18.74,;47.65,-17.27,;48.69,-16.14,;45.93,-11.49,;44.59,-12.24,;44.57,-13.77,;43.26,-11.45,;43.29,-9.91,;44.63,-9.15,;44.66,-7.62,;46,-6.87,;46.02,-5.33,;44.7,-4.54,;47.37,-4.58,;41.92,-12.19,;40.6,-11.41,;40.62,-9.87,;39.26,-12.16,;39.23,-13.7,;40.56,-14.49,;41.9,-13.74,;43.22,-14.53,;43.2,-16.06,;41.86,-16.82,;40.54,-16.03,;37.94,-11.37,;36.59,-12.12,;36.57,-13.66,;35.27,-11.33,;35.37,-9.78,;33.73,-9.42,;33.05,-7.89,;32.88,-10.87,;33.99,-12.14,;33.13,-13.42,;33.79,-14.8,;52.59,-12.36,;53.94,-11.6,;52.57,-13.89,)|
Show InChI InChI=1S/C90H138N26O21/c1-2-3-28-63(80(126)107-66-35-37-76(122)96-38-23-22-30-62(79(92)125)103-84(130)68(45-57-48-99-61-29-21-20-27-60(57)61)108-81(127)64(31-24-39-98-90(93)94)104-83(129)67(44-56-25-16-15-17-26-56)110-88(134)72-47-59(119)51-116(72)89(66)135)105-87(133)71(53-118)111-85(131)69(46-58-49-95-55-101-58)109-82(128)65(34-36-73(91)120)106-86(132)70(52-117)102-77(123)50-100-78(124)54-137-43-42-136-41-40-97-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-112-114-115-113-74/h15-17,20-21,25-27,29,48-49,55,59,62-72,99,117-119H,2-14,18-19,22-24,28,30-47,50-54H2,1H3,(H2,91,120)(H2,92,125)(H,95,101)(H,96,122)(H,97,121)(H,100,124)(H,102,123)(H,103,130)(H,104,129)(H,105,133)(H,106,132)(H,107,126)(H,108,127)(H,109,128)(H,110,134)(H,111,131)(H4,93,94,98)(H,112,113,114,115)/t59-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 170n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in BHK570 cells assessed as induction of cMAP accumulation in presence of 0.1% human ser...


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair