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BDBM50111184 (2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-{[(2-chloro-3,4-dimethoxyphenyl)methyl]amino}pentanoic acid::MK-34::N-Alkylaminoacid derivative

SMILES: COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)c(Cl)c1OC

InChI Key: InChIKey=CXYVXCLOQCKJCH-SNVBAGLBSA-O

Data: 4 KI

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 4 hits for monomerid = 50111184   
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))
BDBM50111184
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)c(Cl)c1OC
Show InChI InChI=1S/C15H23ClN4O4/c1-23-11-6-5-9(12(16)13(11)24-2)8-20-10(14(21)22)4-3-7-19-15(17)18/h5-6,10,20H,3-4,7-8H2,1-2H3,(H,21,22)(H4,17,18,19)/p+1/t10-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 3 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


Article DOI: 10.1016/s0960-894x(02)00089-6
BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50111184
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)c(Cl)c1OC
Show InChI InChI=1S/C15H23ClN4O4/c1-23-11-6-5-9(12(16)13(11)24-2)8-20-10(14(21)22)4-3-7-19-15(17)18/h5-6,10,20H,3-4,7-8H2,1-2H3,(H,21,22)(H4,17,18,19)/p+1/t10-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 5 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


Article DOI: 10.1016/s0960-894x(02)00089-6
BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50111184
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)c(Cl)c1OC
Show InChI InChI=1S/C15H23ClN4O4/c1-23-11-6-5-9(12(16)13(11)24-2)8-20-10(14(21)22)4-3-7-19-15(17)18/h5-6,10,20H,3-4,7-8H2,1-2H3,(H,21,22)(H4,17,18,19)/p+1/t10-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 4 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


Article DOI: 10.1016/s0960-894x(02)00089-6
BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50111184
PNG
((2R)-5-[(E)-[amino(azaniumyl)methylidene]amino]-2-...)
Show SMILES COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)c(Cl)c1OC
Show InChI InChI=1S/C15H23ClN4O4/c1-23-11-6-5-9(12(16)13(11)24-2)8-20-10(14(21)22)4-3-7-19-15(17)18/h5-6,10,20H,3-4,7-8H2,1-2H3,(H,21,22)(H4,17,18,19)/p+1/t10-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 1 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


Article DOI: 10.1016/s0960-894x(02)00089-6
BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair