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SMILES: CCCC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O

InChI Key: InChIKey=KGKQRSIZOWSMQQ-HYODOQFPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50035196   
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))
BDBM50035196
PNG
(CHEMBL3354725)
Show SMILES CCCC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C103H153N25O27/c1-3-4-22-76(94(139)125-81-56-85(130)109-31-10-9-24-75(93(104)138)120-97(142)79(54-71-57-114-74-23-8-7-21-73(71)74)123-95(140)77(25-11-32-113-103(105)106)121-96(141)78(53-68-29-30-69-19-5-6-20-70(69)52-68)122-98(143)80(124-99(81)144)55-72-58-107-66-118-72)119-89(134)64-154-62-87(132)111-35-17-42-150-47-51-153-49-45-149-41-16-34-110-86(131)59-115-100(145)82-26-12-37-126(82)90(135)60-116-101(146)83-27-13-38-127(83)91(136)61-117-102(147)84-28-14-39-128(84)92(137)65-155-63-88(133)112-36-18-43-151-46-50-152-48-44-148-40-15-33-108-67(2)129/h5-8,19-21,23,29-30,52,57-58,66,75-84,114H,3-4,9-18,22,24-28,31-51,53-56,59-65H2,1-2H3,(H2,104,138)(H,107,118)(H,108,129)(H,109,130)(H,110,131)(H,111,132)(H,112,133)(H,115,145)(H,116,146)(H,117,147)(H,119,134)(H,120,142)(H,121,141)(H,122,143)(H,123,140)(H,124,144)(H,125,139)(H4,105,106,113)/t75-,76-,77-,78+,79-,80-,81-,82-,83-,84-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3.70n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of Eu-DTPA-NDP-a-MSH chelate from human melanocortin-4 receptor expressed in HEK293 cells after 1 hr by competitive DELFIA assay


Bioorg Med Chem 22: 6360-5 (2014)


Article DOI: 10.1016/j.bmc.2014.09.055
BindingDB Entry DOI: 10.7270/Q2QR4ZQ7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50035196
PNG
(CHEMBL3354725)
Show SMILES CCCC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C103H153N25O27/c1-3-4-22-76(94(139)125-81-56-85(130)109-31-10-9-24-75(93(104)138)120-97(142)79(54-71-57-114-74-23-8-7-21-73(71)74)123-95(140)77(25-11-32-113-103(105)106)121-96(141)78(53-68-29-30-69-19-5-6-20-70(69)52-68)122-98(143)80(124-99(81)144)55-72-58-107-66-118-72)119-89(134)64-154-62-87(132)111-35-17-42-150-47-51-153-49-45-149-41-16-34-110-86(131)59-115-100(145)82-26-12-37-126(82)90(135)60-116-101(146)83-27-13-38-127(83)91(136)61-117-102(147)84-28-14-39-128(84)92(137)65-155-63-88(133)112-36-18-43-151-46-50-152-48-44-148-40-15-33-108-67(2)129/h5-8,19-21,23,29-30,52,57-58,66,75-84,114H,3-4,9-18,22,24-28,31-51,53-56,59-65H2,1-2H3,(H2,104,138)(H,107,118)(H,108,129)(H,109,130)(H,110,131)(H,111,132)(H,112,133)(H,115,145)(H,116,146)(H,117,147)(H,119,134)(H,120,142)(H,121,141)(H,122,143)(H,123,140)(H,124,144)(H,125,139)(H4,105,106,113)/t75-,76-,77-,78+,79-,80-,81-,82-,83-,84-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3.70n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of Eu-DTPA-NDP-a-MSH chelate from human melanocortin-4 receptor expressed in HEK293 cells after 1 hr by competitive DELFIA assay


Bioorg Med Chem 22: 6360-5 (2014)


Article DOI: 10.1016/j.bmc.2014.09.055
BindingDB Entry DOI: 10.7270/Q2QR4ZQ7
More data for this
Ligand-Target Pair