BindingDB logo
myBDB logout

BDBM50189196 (S)-1-(4-(2-(1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one::CHEMBL378016

SMILES: CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)CCc1c(C)[nH]c2ccccc12)C(F)(F)F

InChI Key: InChIKey=WQMKKOKOWWDFGB-DEOSSOPVSA-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 = 50189196   
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))		BDBM50189196
PNG
((S)-1-(4-(2-(1-amino-3-methylbutyl)-4-(trifluorome...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)CCc1c(C)[nH]c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C28H35F3N4O/c1-18(2)16-24(32)23-17-20(28(29,30)31)8-10-26(23)34-12-14-35(15-13-34)27(36)11-9-21-19(3)33-25-7-5-4-6-22(21)25/h4-8,10,17-18,24,33H,9,11-16,32H2,1-3H3/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.60E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Activity at MC4R assessed as inhibition of alpha-MSH-stimulated cAMP production

Bioorg Med Chem Lett 16: 4674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.088
BindingDB Entry DOI: 10.7270/Q2C53KFR
More data for this
Ligand-Target Pair