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BDBM50245606 3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-hydroxy-2-methylbutyl)phenyl)piperazin-1-yl)-1-oxopropan-2-yl)propanamide::CHEMBL529449

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

InChI Key: InChIKey=CKZFLGNUSVLCLU-GRELRLAZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50245606   
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))
BDBM50245606
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-h...)
Show SMILES CCC(C)C(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN |r|
Show InChI InChI=1S/C27H36Cl2N4O3/c1-3-18(2)26(35)21-6-4-5-7-24(21)32-12-14-33(15-13-32)27(36)23(31-25(34)10-11-30)16-19-8-9-20(28)17-22(19)29/h4-9,17-18,23,26,35H,3,10-16,30H2,1-2H3,(H,31,34)/t18?,23-,26?/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
47n/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