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BDBM50454555 CHEMBL2115441

SMILES: CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O

InChI Key: InChIKey=WZIILWAZGXRRFZ-JYNRXONWSA-N

Data: 4 IC50  4 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 8 hits for monomerid = 50454555   
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 3


(Homo sapiens (Human))
BDBM50454555
PNG
(CHEMBL2115441)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |wU:30.30,66.69,4.4,44.46,25.25,wD:12.11,21.80,55.57,(-3.6,-3.27,;-2.8,-4.62,;-3.51,-6.01,;-2.66,-7.31,;-3.24,-8.75,;-4.77,-8.95,;-5.17,-10.44,;-6.68,-10.84,;-4.09,-11.55,;-2.3,-9.96,;-2.87,-11.38,;-.49,-9.48,;.9,-10.13,;.41,-11.59,;.29,-13.13,;-1.26,-13.19,;.53,-14.65,;1.14,-16.07,;2.06,-17.29,;3.26,-18.26,;4.65,-18.92,;6.15,-19.23,;7.69,-19.18,;9.17,-18.75,;9.77,-20.16,;10.5,-17.98,;11.43,-19.2,;11.62,-16.91,;12.44,-15.6,;13.83,-16.26,;12.93,-14.14,;14.44,-14.44,;14.92,-15.92,;16.39,-16.38,;16.4,-17.92,;14.94,-18.4,;14.33,-19.81,;12.8,-19.99,;11.88,-18.75,;12.49,-17.34,;14.02,-17.17,;13.05,-12.61,;12.8,-11.09,;14.28,-10.67,;12.2,-9.68,;13.53,-8.91,;14.87,-9.68,;16.19,-8.91,;17.53,-9.68,;18.87,-8.91,;20.19,-9.68,;18.87,-7.37,;11.27,-8.44,;10.09,-7.47,;10.9,-6.17,;8.69,-6.81,;9.17,-5.35,;10.69,-5.05,;11.17,-3.59,;12.68,-3.28,;13.71,-4.44,;13.22,-5.89,;11.7,-6.19,;7.18,-6.51,;5.64,-6.55,;5.92,-5.52,;4.17,-6.99,;3.56,-5.58,;4.48,-4.34,;6.03,-4.38,;6.52,-2.9,;5.3,-1.99,;4.03,-2.88,;2.83,-7.77,;1.72,-8.83,;.53,-7.85,;6.03,-20.77,;7.29,-21.65,;4.64,-21.43,)|
Show InChI InChI=1S/C53H74N16O10/c1-4-5-17-38(63-31(3)70)47(74)69-43-26-44(71)58-21-12-11-19-37(45(54)72)64-46(73)30(2)62-49(76)41(24-33-27-60-36-18-10-9-16-35(33)36)67-48(75)39(20-13-22-59-53(55)56)65-50(77)40(23-32-14-7-6-8-15-32)66-51(78)42(68-52(43)79)25-34-28-57-29-61-34/h6-10,14-16,18,27-30,37-43,60H,4-5,11-13,17,19-26H2,1-3H3,(H2,54,72)(H,57,61)(H,58,71)(H,62,76)(H,63,70)(H,64,73)(H,65,77)(H,66,78)(H,67,75)(H,68,79)(H,69,74)(H4,55,56,59)/t30-,37-,38-,39-,40+,41-,42-,43-/m0/s1
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n/an/an/an/a 28n/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Effective concentration that was able to generate 50% maximal intracellular cAMP in L-cells transfected with Melanocortin 3 receptor


J Med Chem 40: 1738-48 (1997)


Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50454555
PNG
(CHEMBL2115441)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |wU:30.30,66.69,4.4,44.46,25.25,wD:12.11,21.80,55.57,(-3.6,-3.27,;-2.8,-4.62,;-3.51,-6.01,;-2.66,-7.31,;-3.24,-8.75,;-4.77,-8.95,;-5.17,-10.44,;-6.68,-10.84,;-4.09,-11.55,;-2.3,-9.96,;-2.87,-11.38,;-.49,-9.48,;.9,-10.13,;.41,-11.59,;.29,-13.13,;-1.26,-13.19,;.53,-14.65,;1.14,-16.07,;2.06,-17.29,;3.26,-18.26,;4.65,-18.92,;6.15,-19.23,;7.69,-19.18,;9.17,-18.75,;9.77,-20.16,;10.5,-17.98,;11.43,-19.2,;11.62,-16.91,;12.44,-15.6,;13.83,-16.26,;12.93,-14.14,;14.44,-14.44,;14.92,-15.92,;16.39,-16.38,;16.4,-17.92,;14.94,-18.4,;14.33,-19.81,;12.8,-19.99,;11.88,-18.75,;12.49,-17.34,;14.02,-17.17,;13.05,-12.61,;12.8,-11.09,;14.28,-10.67,;12.2,-9.68,;13.53,-8.91,;14.87,-9.68,;16.19,-8.91,;17.53,-9.68,;18.87,-8.91,;20.19,-9.68,;18.87,-7.37,;11.27,-8.44,;10.09,-7.47,;10.9,-6.17,;8.69,-6.81,;9.17,-5.35,;10.69,-5.05,;11.17,-3.59,;12.68,-3.28,;13.71,-4.44,;13.22,-5.89,;11.7,-6.19,;7.18,-6.51,;5.64,-6.55,;5.92,-5.52,;4.17,-6.99,;3.56,-5.58,;4.48,-4.34,;6.03,-4.38,;6.52,-2.9,;5.3,-1.99,;4.03,-2.88,;2.83,-7.77,;1.72,-8.83,;.53,-7.85,;6.03,-20.77,;7.29,-21.65,;4.64,-21.43,)|
Show InChI InChI=1S/C53H74N16O10/c1-4-5-17-38(63-31(3)70)47(74)69-43-26-44(71)58-21-12-11-19-37(45(54)72)64-46(73)30(2)62-49(76)41(24-33-27-60-36-18-10-9-16-35(33)36)67-48(75)39(20-13-22-59-53(55)56)65-50(77)40(23-32-14-7-6-8-15-32)66-51(78)42(68-52(43)79)25-34-28-57-29-61-34/h6-10,14-16,18,27-30,37-43,60H,4-5,11-13,17,19-26H2,1-3H3,(H2,54,72)(H,57,61)(H,58,71)(H,62,76)(H,63,70)(H,64,73)(H,65,77)(H,66,78)(H,67,75)(H,68,79)(H,69,74)(H4,55,56,59)/t30-,37-,38-,39-,40+,41-,42-,43-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Effective concentration that was able to generate 50% maximal intracellular cAMP in L-cells transfected with Melanocortin 5 receptor


J Med Chem 40: 1738-48 (1997)


Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50454555
PNG
(CHEMBL2115441)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |wU:30.30,66.69,4.4,44.46,25.25,wD:12.11,21.80,55.57,(-3.6,-3.27,;-2.8,-4.62,;-3.51,-6.01,;-2.66,-7.31,;-3.24,-8.75,;-4.77,-8.95,;-5.17,-10.44,;-6.68,-10.84,;-4.09,-11.55,;-2.3,-9.96,;-2.87,-11.38,;-.49,-9.48,;.9,-10.13,;.41,-11.59,;.29,-13.13,;-1.26,-13.19,;.53,-14.65,;1.14,-16.07,;2.06,-17.29,;3.26,-18.26,;4.65,-18.92,;6.15,-19.23,;7.69,-19.18,;9.17,-18.75,;9.77,-20.16,;10.5,-17.98,;11.43,-19.2,;11.62,-16.91,;12.44,-15.6,;13.83,-16.26,;12.93,-14.14,;14.44,-14.44,;14.92,-15.92,;16.39,-16.38,;16.4,-17.92,;14.94,-18.4,;14.33,-19.81,;12.8,-19.99,;11.88,-18.75,;12.49,-17.34,;14.02,-17.17,;13.05,-12.61,;12.8,-11.09,;14.28,-10.67,;12.2,-9.68,;13.53,-8.91,;14.87,-9.68,;16.19,-8.91,;17.53,-9.68,;18.87,-8.91,;20.19,-9.68,;18.87,-7.37,;11.27,-8.44,;10.09,-7.47,;10.9,-6.17,;8.69,-6.81,;9.17,-5.35,;10.69,-5.05,;11.17,-3.59,;12.68,-3.28,;13.71,-4.44,;13.22,-5.89,;11.7,-6.19,;7.18,-6.51,;5.64,-6.55,;5.92,-5.52,;4.17,-6.99,;3.56,-5.58,;4.48,-4.34,;6.03,-4.38,;6.52,-2.9,;5.3,-1.99,;4.03,-2.88,;2.83,-7.77,;1.72,-8.83,;.53,-7.85,;6.03,-20.77,;7.29,-21.65,;4.64,-21.43,)|
Show InChI InChI=1S/C53H74N16O10/c1-4-5-17-38(63-31(3)70)47(74)69-43-26-44(71)58-21-12-11-19-37(45(54)72)64-46(73)30(2)62-49(76)41(24-33-27-60-36-18-10-9-16-35(33)36)67-48(75)39(20-13-22-59-53(55)56)65-50(77)40(23-32-14-7-6-8-15-32)66-51(78)42(68-52(43)79)25-34-28-57-29-61-34/h6-10,14-16,18,27-30,37-43,60H,4-5,11-13,17,19-26H2,1-3H3,(H2,54,72)(H,57,61)(H,58,71)(H,62,76)(H,63,70)(H,64,73)(H,65,77)(H,66,78)(H,67,75)(H,68,79)(H,69,74)(H4,55,56,59)/t30-,37-,38-,39-,40+,41-,42-,43-/m0/s1
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n/an/a 0.890n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Melanocortin 4 receptor (hMC4R)


J Med Chem 40: 1738-48 (1997)


Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50454555
PNG
(CHEMBL2115441)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |wU:30.30,66.69,4.4,44.46,25.25,wD:12.11,21.80,55.57,(-3.6,-3.27,;-2.8,-4.62,;-3.51,-6.01,;-2.66,-7.31,;-3.24,-8.75,;-4.77,-8.95,;-5.17,-10.44,;-6.68,-10.84,;-4.09,-11.55,;-2.3,-9.96,;-2.87,-11.38,;-.49,-9.48,;.9,-10.13,;.41,-11.59,;.29,-13.13,;-1.26,-13.19,;.53,-14.65,;1.14,-16.07,;2.06,-17.29,;3.26,-18.26,;4.65,-18.92,;6.15,-19.23,;7.69,-19.18,;9.17,-18.75,;9.77,-20.16,;10.5,-17.98,;11.43,-19.2,;11.62,-16.91,;12.44,-15.6,;13.83,-16.26,;12.93,-14.14,;14.44,-14.44,;14.92,-15.92,;16.39,-16.38,;16.4,-17.92,;14.94,-18.4,;14.33,-19.81,;12.8,-19.99,;11.88,-18.75,;12.49,-17.34,;14.02,-17.17,;13.05,-12.61,;12.8,-11.09,;14.28,-10.67,;12.2,-9.68,;13.53,-8.91,;14.87,-9.68,;16.19,-8.91,;17.53,-9.68,;18.87,-8.91,;20.19,-9.68,;18.87,-7.37,;11.27,-8.44,;10.09,-7.47,;10.9,-6.17,;8.69,-6.81,;9.17,-5.35,;10.69,-5.05,;11.17,-3.59,;12.68,-3.28,;13.71,-4.44,;13.22,-5.89,;11.7,-6.19,;7.18,-6.51,;5.64,-6.55,;5.92,-5.52,;4.17,-6.99,;3.56,-5.58,;4.48,-4.34,;6.03,-4.38,;6.52,-2.9,;5.3,-1.99,;4.03,-2.88,;2.83,-7.77,;1.72,-8.83,;.53,-7.85,;6.03,-20.77,;7.29,-21.65,;4.64,-21.43,)|
Show InChI InChI=1S/C53H74N16O10/c1-4-5-17-38(63-31(3)70)47(74)69-43-26-44(71)58-21-12-11-19-37(45(54)72)64-46(73)30(2)62-49(76)41(24-33-27-60-36-18-10-9-16-35(33)36)67-48(75)39(20-13-22-59-53(55)56)65-50(77)40(23-32-14-7-6-8-15-32)66-51(78)42(68-52(43)79)25-34-28-57-29-61-34/h6-10,14-16,18,27-30,37-43,60H,4-5,11-13,17,19-26H2,1-3H3,(H2,54,72)(H,57,61)(H,58,71)(H,62,76)(H,63,70)(H,64,73)(H,65,77)(H,66,78)(H,67,75)(H,68,79)(H,69,74)(H4,55,56,59)/t30-,37-,38-,39-,40+,41-,42-,43-/m0/s1
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n/an/an/an/a 2.5n/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Effective concentration for intracellular cAMP accumulation in L-cells expressing Melanocortin 4 receptor


J Med Chem 40: 1738-48 (1997)


Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50454555
PNG
(CHEMBL2115441)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |wU:30.30,66.69,4.4,44.46,25.25,wD:12.11,21.80,55.57,(-3.6,-3.27,;-2.8,-4.62,;-3.51,-6.01,;-2.66,-7.31,;-3.24,-8.75,;-4.77,-8.95,;-5.17,-10.44,;-6.68,-10.84,;-4.09,-11.55,;-2.3,-9.96,;-2.87,-11.38,;-.49,-9.48,;.9,-10.13,;.41,-11.59,;.29,-13.13,;-1.26,-13.19,;.53,-14.65,;1.14,-16.07,;2.06,-17.29,;3.26,-18.26,;4.65,-18.92,;6.15,-19.23,;7.69,-19.18,;9.17,-18.75,;9.77,-20.16,;10.5,-17.98,;11.43,-19.2,;11.62,-16.91,;12.44,-15.6,;13.83,-16.26,;12.93,-14.14,;14.44,-14.44,;14.92,-15.92,;16.39,-16.38,;16.4,-17.92,;14.94,-18.4,;14.33,-19.81,;12.8,-19.99,;11.88,-18.75,;12.49,-17.34,;14.02,-17.17,;13.05,-12.61,;12.8,-11.09,;14.28,-10.67,;12.2,-9.68,;13.53,-8.91,;14.87,-9.68,;16.19,-8.91,;17.53,-9.68,;18.87,-8.91,;20.19,-9.68,;18.87,-7.37,;11.27,-8.44,;10.09,-7.47,;10.9,-6.17,;8.69,-6.81,;9.17,-5.35,;10.69,-5.05,;11.17,-3.59,;12.68,-3.28,;13.71,-4.44,;13.22,-5.89,;11.7,-6.19,;7.18,-6.51,;5.64,-6.55,;5.92,-5.52,;4.17,-6.99,;3.56,-5.58,;4.48,-4.34,;6.03,-4.38,;6.52,-2.9,;5.3,-1.99,;4.03,-2.88,;2.83,-7.77,;1.72,-8.83,;.53,-7.85,;6.03,-20.77,;7.29,-21.65,;4.64,-21.43,)|
Show InChI InChI=1S/C53H74N16O10/c1-4-5-17-38(63-31(3)70)47(74)69-43-26-44(71)58-21-12-11-19-37(45(54)72)64-46(73)30(2)62-49(76)41(24-33-27-60-36-18-10-9-16-35(33)36)67-48(75)39(20-13-22-59-53(55)56)65-50(77)40(23-32-14-7-6-8-15-32)66-51(78)42(68-52(43)79)25-34-28-57-29-61-34/h6-10,14-16,18,27-30,37-43,60H,4-5,11-13,17,19-26H2,1-3H3,(H2,54,72)(H,57,61)(H,58,71)(H,62,76)(H,63,70)(H,64,73)(H,65,77)(H,66,78)(H,67,75)(H,68,79)(H,69,74)(H4,55,56,59)/t30-,37-,38-,39-,40+,41-,42-,43-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Melanocortin 3 receptor (hMC3R)


J Med Chem 40: 1738-48 (1997)


Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50454555
PNG
(CHEMBL2115441)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |wU:30.30,66.69,4.4,44.46,25.25,wD:12.11,21.80,55.57,(-3.6,-3.27,;-2.8,-4.62,;-3.51,-6.01,;-2.66,-7.31,;-3.24,-8.75,;-4.77,-8.95,;-5.17,-10.44,;-6.68,-10.84,;-4.09,-11.55,;-2.3,-9.96,;-2.87,-11.38,;-.49,-9.48,;.9,-10.13,;.41,-11.59,;.29,-13.13,;-1.26,-13.19,;.53,-14.65,;1.14,-16.07,;2.06,-17.29,;3.26,-18.26,;4.65,-18.92,;6.15,-19.23,;7.69,-19.18,;9.17,-18.75,;9.77,-20.16,;10.5,-17.98,;11.43,-19.2,;11.62,-16.91,;12.44,-15.6,;13.83,-16.26,;12.93,-14.14,;14.44,-14.44,;14.92,-15.92,;16.39,-16.38,;16.4,-17.92,;14.94,-18.4,;14.33,-19.81,;12.8,-19.99,;11.88,-18.75,;12.49,-17.34,;14.02,-17.17,;13.05,-12.61,;12.8,-11.09,;14.28,-10.67,;12.2,-9.68,;13.53,-8.91,;14.87,-9.68,;16.19,-8.91,;17.53,-9.68,;18.87,-8.91,;20.19,-9.68,;18.87,-7.37,;11.27,-8.44,;10.09,-7.47,;10.9,-6.17,;8.69,-6.81,;9.17,-5.35,;10.69,-5.05,;11.17,-3.59,;12.68,-3.28,;13.71,-4.44,;13.22,-5.89,;11.7,-6.19,;7.18,-6.51,;5.64,-6.55,;5.92,-5.52,;4.17,-6.99,;3.56,-5.58,;4.48,-4.34,;6.03,-4.38,;6.52,-2.9,;5.3,-1.99,;4.03,-2.88,;2.83,-7.77,;1.72,-8.83,;.53,-7.85,;6.03,-20.77,;7.29,-21.65,;4.64,-21.43,)|
Show InChI InChI=1S/C53H74N16O10/c1-4-5-17-38(63-31(3)70)47(74)69-43-26-44(71)58-21-12-11-19-37(45(54)72)64-46(73)30(2)62-49(76)41(24-33-27-60-36-18-10-9-16-35(33)36)67-48(75)39(20-13-22-59-53(55)56)65-50(77)40(23-32-14-7-6-8-15-32)66-51(78)42(68-52(43)79)25-34-28-57-29-61-34/h6-10,14-16,18,27-30,37-43,60H,4-5,11-13,17,19-26H2,1-3H3,(H2,54,72)(H,57,61)(H,58,71)(H,62,76)(H,63,70)(H,64,73)(H,65,77)(H,66,78)(H,67,75)(H,68,79)(H,69,74)(H4,55,56,59)/t30-,37-,38-,39-,40+,41-,42-,43-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Melanocortin 1 receptor (hMC1R)


J Med Chem 40: 1738-48 (1997)


Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50454555
PNG
(CHEMBL2115441)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |wU:30.30,66.69,4.4,44.46,25.25,wD:12.11,21.80,55.57,(-3.6,-3.27,;-2.8,-4.62,;-3.51,-6.01,;-2.66,-7.31,;-3.24,-8.75,;-4.77,-8.95,;-5.17,-10.44,;-6.68,-10.84,;-4.09,-11.55,;-2.3,-9.96,;-2.87,-11.38,;-.49,-9.48,;.9,-10.13,;.41,-11.59,;.29,-13.13,;-1.26,-13.19,;.53,-14.65,;1.14,-16.07,;2.06,-17.29,;3.26,-18.26,;4.65,-18.92,;6.15,-19.23,;7.69,-19.18,;9.17,-18.75,;9.77,-20.16,;10.5,-17.98,;11.43,-19.2,;11.62,-16.91,;12.44,-15.6,;13.83,-16.26,;12.93,-14.14,;14.44,-14.44,;14.92,-15.92,;16.39,-16.38,;16.4,-17.92,;14.94,-18.4,;14.33,-19.81,;12.8,-19.99,;11.88,-18.75,;12.49,-17.34,;14.02,-17.17,;13.05,-12.61,;12.8,-11.09,;14.28,-10.67,;12.2,-9.68,;13.53,-8.91,;14.87,-9.68,;16.19,-8.91,;17.53,-9.68,;18.87,-8.91,;20.19,-9.68,;18.87,-7.37,;11.27,-8.44,;10.09,-7.47,;10.9,-6.17,;8.69,-6.81,;9.17,-5.35,;10.69,-5.05,;11.17,-3.59,;12.68,-3.28,;13.71,-4.44,;13.22,-5.89,;11.7,-6.19,;7.18,-6.51,;5.64,-6.55,;5.92,-5.52,;4.17,-6.99,;3.56,-5.58,;4.48,-4.34,;6.03,-4.38,;6.52,-2.9,;5.3,-1.99,;4.03,-2.88,;2.83,-7.77,;1.72,-8.83,;.53,-7.85,;6.03,-20.77,;7.29,-21.65,;4.64,-21.43,)|
Show InChI InChI=1S/C53H74N16O10/c1-4-5-17-38(63-31(3)70)47(74)69-43-26-44(71)58-21-12-11-19-37(45(54)72)64-46(73)30(2)62-49(76)41(24-33-27-60-36-18-10-9-16-35(33)36)67-48(75)39(20-13-22-59-53(55)56)65-50(77)40(23-32-14-7-6-8-15-32)66-51(78)42(68-52(43)79)25-34-28-57-29-61-34/h6-10,14-16,18,27-30,37-43,60H,4-5,11-13,17,19-26H2,1-3H3,(H2,54,72)(H,57,61)(H,58,71)(H,62,76)(H,63,70)(H,64,73)(H,65,77)(H,66,78)(H,67,75)(H,68,79)(H,69,74)(H4,55,56,59)/t30-,37-,38-,39-,40+,41-,42-,43-/m0/s1
UniProtKB/SwissProt

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PubMed
n/an/a 25n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Melanocortin 5 receptor (hMC5R)


J Med Chem 40: 1738-48 (1997)


Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50454555
PNG
(CHEMBL2115441)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |wU:30.30,66.69,4.4,44.46,25.25,wD:12.11,21.80,55.57,(-3.6,-3.27,;-2.8,-4.62,;-3.51,-6.01,;-2.66,-7.31,;-3.24,-8.75,;-4.77,-8.95,;-5.17,-10.44,;-6.68,-10.84,;-4.09,-11.55,;-2.3,-9.96,;-2.87,-11.38,;-.49,-9.48,;.9,-10.13,;.41,-11.59,;.29,-13.13,;-1.26,-13.19,;.53,-14.65,;1.14,-16.07,;2.06,-17.29,;3.26,-18.26,;4.65,-18.92,;6.15,-19.23,;7.69,-19.18,;9.17,-18.75,;9.77,-20.16,;10.5,-17.98,;11.43,-19.2,;11.62,-16.91,;12.44,-15.6,;13.83,-16.26,;12.93,-14.14,;14.44,-14.44,;14.92,-15.92,;16.39,-16.38,;16.4,-17.92,;14.94,-18.4,;14.33,-19.81,;12.8,-19.99,;11.88,-18.75,;12.49,-17.34,;14.02,-17.17,;13.05,-12.61,;12.8,-11.09,;14.28,-10.67,;12.2,-9.68,;13.53,-8.91,;14.87,-9.68,;16.19,-8.91,;17.53,-9.68,;18.87,-8.91,;20.19,-9.68,;18.87,-7.37,;11.27,-8.44,;10.09,-7.47,;10.9,-6.17,;8.69,-6.81,;9.17,-5.35,;10.69,-5.05,;11.17,-3.59,;12.68,-3.28,;13.71,-4.44,;13.22,-5.89,;11.7,-6.19,;7.18,-6.51,;5.64,-6.55,;5.92,-5.52,;4.17,-6.99,;3.56,-5.58,;4.48,-4.34,;6.03,-4.38,;6.52,-2.9,;5.3,-1.99,;4.03,-2.88,;2.83,-7.77,;1.72,-8.83,;.53,-7.85,;6.03,-20.77,;7.29,-21.65,;4.64,-21.43,)|
Show InChI InChI=1S/C53H74N16O10/c1-4-5-17-38(63-31(3)70)47(74)69-43-26-44(71)58-21-12-11-19-37(45(54)72)64-46(73)30(2)62-49(76)41(24-33-27-60-36-18-10-9-16-35(33)36)67-48(75)39(20-13-22-59-53(55)56)65-50(77)40(23-32-14-7-6-8-15-32)66-51(78)42(68-52(43)79)25-34-28-57-29-61-34/h6-10,14-16,18,27-30,37-43,60H,4-5,11-13,17,19-26H2,1-3H3,(H2,54,72)(H,57,61)(H,58,71)(H,62,76)(H,63,70)(H,64,73)(H,65,77)(H,66,78)(H,67,75)(H,68,79)(H,69,74)(H4,55,56,59)/t30-,37-,38-,39-,40+,41-,42-,43-/m0/s1
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n/an/an/an/a 0.0980n/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Effective concentration for intracellular cAMP accumulation in L-cells expressing Melanocortin 1 receptor


J Med Chem 40: 1738-48 (1997)


Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK
More data for this
Ligand-Target Pair