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BDBM50245537 2-amino-N-((R)-1-(4-(2-(1-amino-3-methylbutyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)-2-methylpropanamide::CHEMBL528108

SMILES: CC(C)CC(N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(C)(C)N

InChI Key: InChIKey=OKYVQTIJMXFTBS-XMMISQBUSA-N

Data: 1 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 1 hit for monomerid = 50245537   
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))
BDBM50245537
PNG
(2-amino-N-((R)-1-(4-(2-(1-amino-3-methylbutyl)phen...)
Show SMILES CC(C)CC(N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(C)(C)N |r|
Show InChI InChI=1S/C28H39Cl2N5O2/c1-18(2)15-23(31)21-7-5-6-8-25(21)34-11-13-35(14-12-34)26(36)24(33-27(37)28(3,4)32)16-19-9-10-20(29)17-22(19)30/h5-10,17-18,23-24H,11-16,31-32H2,1-4H3,(H,33,37)/t23?,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MC4 receptor


Bioorg Med Chem Lett 18: 4817-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.076
BindingDB Entry DOI: 10.7270/Q24T6J75
More data for this
Ligand-Target Pair