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SMILES: CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]([C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=YXZYBCMNOYDDTL-TWLZWWIMSA-N

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 = 50454019   
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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50454019
PNG
(CHEMBL2370906)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]([C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O |wU:12.11,30.30,67.70,4.3,wD:52.53,20.19,41.42,53.55,(-5.23,-3.6,;-3.9,-2.83,;-2.56,-3.6,;-1.23,-2.83,;.1,-3.6,;.1,-5.14,;-1.23,-5.91,;-2.56,-5.14,;-1.23,-7.45,;1.44,-2.83,;1.44,-1.29,;2.77,-3.6,;4.1,-2.83,;4.1,-1.29,;5.44,-.52,;6.77,-1.29,;5.44,1.02,;5.44,-3.6,;5.44,-5.14,;6.77,-2.83,;8.1,-3.6,;8.1,-5.14,;9.44,-5.91,;9.6,-7.44,;11.11,-7.76,;11.88,-6.42,;10.85,-5.28,;9.44,-2.83,;9.44,-1.29,;10.77,-3.6,;12.11,-2.83,;12.11,-1.29,;13.44,-.52,;14.77,-1.29,;16.11,-.52,;16.11,1.02,;14.77,1.79,;13.44,1.02,;13.44,-3.6,;13.44,-5.14,;14.77,-2.83,;16.11,-3.6,;16.11,-5.14,;14.77,-5.91,;14.77,-7.45,;13.44,-8.22,;13.44,-9.76,;12.11,-10.53,;14.77,-10.53,;17.44,-2.83,;17.44,-1.29,;18.77,-3.6,;20.11,-2.83,;20.11,-1.29,;18.77,-.52,;21.44,-.52,;22.85,-1.14,;23.88,0,;23.11,1.34,;23.58,2.8,;22.55,3.94,;21.05,3.62,;20.57,2.16,;21.6,1.02,;21.44,-3.6,;21.44,-5.14,;22.78,-2.83,;24.11,-3.6,;25.44,-2.83,;26.78,-3.6,;28.11,-2.83,;29.44,-3.6,;30.78,-2.83,;24.11,-5.14,;22.78,-5.91,;25.44,-5.91,)|
Show InChI InChI=1S/C51H73N15O10/c1-4-5-17-37(60-30(3)67)45(71)65-41(25-42(68)69)49(75)64-40(24-32-26-56-28-59-32)48(74)63-39(23-31-14-7-6-8-15-31)47(73)62-38(20-13-22-57-51(54)55)46(72)66-43(50(76)61-36(44(53)70)19-11-12-21-52)29(2)34-27-58-35-18-10-9-16-33(34)35/h6-10,14-16,18,26-29,36-41,43,58H,4-5,11-13,17,19-25,52H2,1-3H3,(H2,53,70)(H,56,59)(H,60,67)(H,61,76)(H,62,73)(H,63,74)(H,64,75)(H,65,71)(H,66,72)(H,68,69)(H4,54,55,57)/t29-,36+,37+,38+,39+,40+,41+,43-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
KEGG
PC cid
PC sid
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Similars

PubMed
n/an/an/an/a 0.300n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration for the effect of Melanocortin 1 receptor in the frog skin.


J Med Chem 38: 4720-9 (1995)


BindingDB Entry DOI: 10.7270/Q2B56HRS
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50454019
PNG
(CHEMBL2370906)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]([C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O |wU:12.11,30.30,67.70,4.3,wD:52.53,20.19,41.42,53.55,(-5.23,-3.6,;-3.9,-2.83,;-2.56,-3.6,;-1.23,-2.83,;.1,-3.6,;.1,-5.14,;-1.23,-5.91,;-2.56,-5.14,;-1.23,-7.45,;1.44,-2.83,;1.44,-1.29,;2.77,-3.6,;4.1,-2.83,;4.1,-1.29,;5.44,-.52,;6.77,-1.29,;5.44,1.02,;5.44,-3.6,;5.44,-5.14,;6.77,-2.83,;8.1,-3.6,;8.1,-5.14,;9.44,-5.91,;9.6,-7.44,;11.11,-7.76,;11.88,-6.42,;10.85,-5.28,;9.44,-2.83,;9.44,-1.29,;10.77,-3.6,;12.11,-2.83,;12.11,-1.29,;13.44,-.52,;14.77,-1.29,;16.11,-.52,;16.11,1.02,;14.77,1.79,;13.44,1.02,;13.44,-3.6,;13.44,-5.14,;14.77,-2.83,;16.11,-3.6,;16.11,-5.14,;14.77,-5.91,;14.77,-7.45,;13.44,-8.22,;13.44,-9.76,;12.11,-10.53,;14.77,-10.53,;17.44,-2.83,;17.44,-1.29,;18.77,-3.6,;20.11,-2.83,;20.11,-1.29,;18.77,-.52,;21.44,-.52,;22.85,-1.14,;23.88,0,;23.11,1.34,;23.58,2.8,;22.55,3.94,;21.05,3.62,;20.57,2.16,;21.6,1.02,;21.44,-3.6,;21.44,-5.14,;22.78,-2.83,;24.11,-3.6,;25.44,-2.83,;26.78,-3.6,;28.11,-2.83,;29.44,-3.6,;30.78,-2.83,;24.11,-5.14,;22.78,-5.91,;25.44,-5.91,)|
Show InChI InChI=1S/C51H73N15O10/c1-4-5-17-37(60-30(3)67)45(71)65-41(25-42(68)69)49(75)64-40(24-32-26-56-28-59-32)48(74)63-39(23-31-14-7-6-8-15-31)47(73)62-38(20-13-22-57-51(54)55)46(72)66-43(50(76)61-36(44(53)70)19-11-12-21-52)29(2)34-27-58-35-18-10-9-16-33(34)35/h6-10,14-16,18,26-29,36-41,43,58H,4-5,11-13,17,19-25,52H2,1-3H3,(H2,53,70)(H,56,59)(H,60,67)(H,61,76)(H,62,73)(H,63,74)(H,64,75)(H,65,71)(H,66,72)(H,68,69)(H4,54,55,57)/t29-,36+,37+,38+,39+,40+,41+,43-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
The concentration that inhibits 50% specific binding was determined against the Melanocortin 1 receptor


J Med Chem 38: 4720-9 (1995)


BindingDB Entry DOI: 10.7270/Q2B56HRS
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50454019
PNG
(CHEMBL2370906)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]([C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O |wU:12.11,30.30,67.70,4.3,wD:52.53,20.19,41.42,53.55,(-5.23,-3.6,;-3.9,-2.83,;-2.56,-3.6,;-1.23,-2.83,;.1,-3.6,;.1,-5.14,;-1.23,-5.91,;-2.56,-5.14,;-1.23,-7.45,;1.44,-2.83,;1.44,-1.29,;2.77,-3.6,;4.1,-2.83,;4.1,-1.29,;5.44,-.52,;6.77,-1.29,;5.44,1.02,;5.44,-3.6,;5.44,-5.14,;6.77,-2.83,;8.1,-3.6,;8.1,-5.14,;9.44,-5.91,;9.6,-7.44,;11.11,-7.76,;11.88,-6.42,;10.85,-5.28,;9.44,-2.83,;9.44,-1.29,;10.77,-3.6,;12.11,-2.83,;12.11,-1.29,;13.44,-.52,;14.77,-1.29,;16.11,-.52,;16.11,1.02,;14.77,1.79,;13.44,1.02,;13.44,-3.6,;13.44,-5.14,;14.77,-2.83,;16.11,-3.6,;16.11,-5.14,;14.77,-5.91,;14.77,-7.45,;13.44,-8.22,;13.44,-9.76,;12.11,-10.53,;14.77,-10.53,;17.44,-2.83,;17.44,-1.29,;18.77,-3.6,;20.11,-2.83,;20.11,-1.29,;18.77,-.52,;21.44,-.52,;22.85,-1.14,;23.88,0,;23.11,1.34,;23.58,2.8,;22.55,3.94,;21.05,3.62,;20.57,2.16,;21.6,1.02,;21.44,-3.6,;21.44,-5.14,;22.78,-2.83,;24.11,-3.6,;25.44,-2.83,;26.78,-3.6,;28.11,-2.83,;29.44,-3.6,;30.78,-2.83,;24.11,-5.14,;22.78,-5.91,;25.44,-5.91,)|
Show InChI InChI=1S/C51H73N15O10/c1-4-5-17-37(60-30(3)67)45(71)65-41(25-42(68)69)49(75)64-40(24-32-26-56-28-59-32)48(74)63-39(23-31-14-7-6-8-15-31)47(73)62-38(20-13-22-57-51(54)55)46(72)66-43(50(76)61-36(44(53)70)19-11-12-21-52)29(2)34-27-58-35-18-10-9-16-33(34)35/h6-10,14-16,18,26-29,36-41,43,58H,4-5,11-13,17,19-25,52H2,1-3H3,(H2,53,70)(H,56,59)(H,60,67)(H,61,76)(H,62,73)(H,63,74)(H,64,75)(H,65,71)(H,66,72)(H,68,69)(H4,54,55,57)/t29-,36+,37+,38+,39+,40+,41+,43-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 0.400n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration against Melanocortin 1 receptor transfected into L-cells was determined by concentration of peptide for 50% maximal cAMP gene...


J Med Chem 38: 4720-9 (1995)


BindingDB Entry DOI: 10.7270/Q2B56HRS
More data for this
Ligand-Target Pair