BDBM50112899 CHEMBL3600842

SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O

InChI Key InChIKey=BLUHVPTUPSCCBC-PGMQRQGHSA-N

Data  4 IC50  4 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50112899   

TargetMelanocyte-stimulating hormone receptor(Homo sapiens (Human))
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50112899(CHEMBL3600842)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)69-45-29-48(73)61-23-12-11-19-41(49(57)74)66-52(77)46(27-37-30-63-40-18-10-9-16-39(37)40)70(3)54(79)43(20-13-24-62-56(58)59)67-51(76)44(26-34-21-22-35-14-7-8-15-36(35)25-34)68-53(78)47(71(4)55(45)80)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,77)(H,67,76)(H,68,78)(H,69,75)(H4,58,59,62)/t41-,42+,43-,44+,45-,46-,47-/m0/s1
Affinity DataIC50: 1.05E+3nMAssay Description:Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC1 receptor expressed in HEK293 cells after 40 mins by luminescence countingMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Homo sapiens (Human))
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50112899(CHEMBL3600842)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)69-45-29-48(73)61-23-12-11-19-41(49(57)74)66-52(77)46(27-37-30-63-40-18-10-9-16-39(37)40)70(3)54(79)43(20-13-24-62-56(58)59)67-51(76)44(26-34-21-22-35-14-7-8-15-36(35)25-34)68-53(78)47(71(4)55(45)80)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,77)(H,67,76)(H,68,78)(H,69,75)(H4,58,59,62)/t41-,42+,43-,44+,45-,46-,47-/m0/s1
Affinity DataEC50:  16nMAssay Description:Agonist activity at human MC3 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence countingMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50112899(CHEMBL3600842)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)69-45-29-48(73)61-23-12-11-19-41(49(57)74)66-52(77)46(27-37-30-63-40-18-10-9-16-39(37)40)70(3)54(79)43(20-13-24-62-56(58)59)67-51(76)44(26-34-21-22-35-14-7-8-15-36(35)25-34)68-53(78)47(71(4)55(45)80)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,77)(H,67,76)(H,68,78)(H,69,75)(H4,58,59,62)/t41-,42+,43-,44+,45-,46-,47-/m0/s1
Affinity DataEC50:  2.10E+3nMAssay Description:Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence countingMore data for this Ligand-Target Pair
TargetMelanocyte-stimulating hormone receptor(Homo sapiens (Human))
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50112899(CHEMBL3600842)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)69-45-29-48(73)61-23-12-11-19-41(49(57)74)66-52(77)46(27-37-30-63-40-18-10-9-16-39(37)40)70(3)54(79)43(20-13-24-62-56(58)59)67-51(76)44(26-34-21-22-35-14-7-8-15-36(35)25-34)68-53(78)47(71(4)55(45)80)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,77)(H,67,76)(H,68,78)(H,69,75)(H4,58,59,62)/t41-,42+,43-,44+,45-,46-,47-/m0/s1
Affinity DataEC50:  1.16E+3nMAssay Description:Agonist activity at human MC1 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence countingMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50112899(CHEMBL3600842)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)69-45-29-48(73)61-23-12-11-19-41(49(57)74)66-52(77)46(27-37-30-63-40-18-10-9-16-39(37)40)70(3)54(79)43(20-13-24-62-56(58)59)67-51(76)44(26-34-21-22-35-14-7-8-15-36(35)25-34)68-53(78)47(71(4)55(45)80)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,77)(H,67,76)(H,68,78)(H,69,75)(H4,58,59,62)/t41-,42+,43-,44+,45-,46-,47-/m0/s1
Affinity DataIC50: 91nMAssay Description:Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC5 receptor expressed in HEK293 cells after 40 mins by luminescence countingMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Homo sapiens (Human))
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50112899(CHEMBL3600842)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)69-45-29-48(73)61-23-12-11-19-41(49(57)74)66-52(77)46(27-37-30-63-40-18-10-9-16-39(37)40)70(3)54(79)43(20-13-24-62-56(58)59)67-51(76)44(26-34-21-22-35-14-7-8-15-36(35)25-34)68-53(78)47(71(4)55(45)80)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,77)(H,67,76)(H,68,78)(H,69,75)(H4,58,59,62)/t41-,42+,43-,44+,45-,46-,47-/m0/s1
Affinity DataIC50: 3.66E+3nMAssay Description:Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC3 receptor expressed in HEK293 cells after 40 mins by luminescence countingMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50112899(CHEMBL3600842)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)69-45-29-48(73)61-23-12-11-19-41(49(57)74)66-52(77)46(27-37-30-63-40-18-10-9-16-39(37)40)70(3)54(79)43(20-13-24-62-56(58)59)67-51(76)44(26-34-21-22-35-14-7-8-15-36(35)25-34)68-53(78)47(71(4)55(45)80)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,77)(H,67,76)(H,68,78)(H,69,75)(H4,58,59,62)/t41-,42+,43-,44+,45-,46-,47-/m0/s1
Affinity DataIC50: 244nMAssay Description:Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC4 receptor expressed in HEK293 cells after 40 mins by luminescence countingMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50112899(CHEMBL3600842)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O
Show InChI InChI=1S/C56H75N15O9/c1-5-6-17-42(65-33(2)72)50(75)69-45-29-48(73)61-23-12-11-19-41(49(57)74)66-52(77)46(27-37-30-63-40-18-10-9-16-39(37)40)70(3)54(79)43(20-13-24-62-56(58)59)67-51(76)44(26-34-21-22-35-14-7-8-15-36(35)25-34)68-53(78)47(71(4)55(45)80)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,77)(H,67,76)(H,68,78)(H,69,75)(H4,58,59,62)/t41-,42+,43-,44+,45-,46-,47-/m0/s1
Affinity DataEC50: >2.00E+3nMAssay Description:Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence countingMore data for this Ligand-Target Pair