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BDBM50451761 CHEMBL2371218

SMILES: CCCC(=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](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O

InChI Key: InChIKey=PNCQNBJJCIFSQE-SNSGHMKVSA-N

Data: 2 IC50  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 3 hits for monomerid = 50451761   
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))
BDBM50451761
PNG
(CHEMBL2371218)
Show SMILES CCCC(=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](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.37,;11.27,-10.82,;11.62,-12.31,;10.5,-13.34,;9.04,-12.89,;8.69,-11.41,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)|
Show InChI InChI=1S/C42H52N12O6/c1-2-8-37(56)51-35(20-29-22-46-24-50-29)41(60)53-33(18-25-14-15-26-9-3-4-10-27(26)17-25)40(59)52-32(13-7-16-47-42(44)45)39(58)54-34(38(57)49-23-36(43)55)19-28-21-48-31-12-6-5-11-30(28)31/h3-6,9-12,14-15,17,21-22,24,32-35,48H,2,7-8,13,16,18-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t32-,33+,34-,35-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 30n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50451761
PNG
(CHEMBL2371218)
Show SMILES CCCC(=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](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.37,;11.27,-10.82,;11.62,-12.31,;10.5,-13.34,;9.04,-12.89,;8.69,-11.41,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)|
Show InChI InChI=1S/C42H52N12O6/c1-2-8-37(56)51-35(20-29-22-46-24-50-29)41(60)53-33(18-25-14-15-26-9-3-4-10-27(26)17-25)40(59)52-32(13-7-16-47-42(44)45)39(58)54-34(38(57)49-23-36(43)55)19-28-21-48-31-12-6-5-11-30(28)31/h3-6,9-12,14-15,17,21-22,24,32-35,48H,2,7-8,13,16,18-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t32-,33+,34-,35-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50451761
PNG
(CHEMBL2371218)
Show SMILES CCCC(=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](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.75,-13.62,;-.6,-12.59,;-.92,-11.09,;.22,-10.06,;1.68,-10.53,;-.11,-8.55,;1.03,-7.53,;.73,-6.01,;1.87,-4.99,;3.38,-5.31,;4.14,-3.98,;3.12,-2.82,;1.71,-3.45,;2.51,-7.99,;2.82,-9.5,;3.65,-6.97,;5.12,-7.45,;5.43,-8.96,;6.9,-9.43,;8.05,-8.39,;9.5,-8.88,;9.83,-10.37,;11.27,-10.82,;11.62,-12.31,;10.5,-13.34,;9.04,-12.89,;8.69,-11.41,;7.22,-10.94,;6.26,-6.41,;5.94,-4.91,;7.73,-6.9,;8.87,-5.87,;8.55,-4.35,;9.69,-3.33,;9.38,-1.82,;10.52,-.79,;10.19,.71,;11.34,1.75,;8.74,1.2,;10.33,-6.34,;10.65,-7.84,;11.48,-5.31,;12.94,-5.78,;13.27,-7.29,;14.73,-7.76,;15.98,-6.85,;17.22,-7.76,;16.74,-9.23,;17.51,-10.57,;16.74,-11.9,;15.21,-11.9,;14.44,-10.57,;15.21,-9.23,;14.09,-4.76,;13.76,-3.24,;15.56,-5.22,;16.7,-4.2,;18.16,-4.68,;19.3,-3.64,;18.48,-6.18,)|
Show InChI InChI=1S/C42H52N12O6/c1-2-8-37(56)51-35(20-29-22-46-24-50-29)41(60)53-33(18-25-14-15-26-9-3-4-10-27(26)17-25)40(59)52-32(13-7-16-47-42(44)45)39(58)54-34(38(57)49-23-36(43)55)19-28-21-48-31-12-6-5-11-30(28)31/h3-6,9-12,14-15,17,21-22,24,32-35,48H,2,7-8,13,16,18-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t32-,33+,34-,35-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 48n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair