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BDBM50188316 3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)-1-((1S,2R,5S)-5-(3-propionamidophenyl)bicyclo[3.1.0]hexan-2-yl)urea::CHEMBL215338

SMILES: CCC(=O)Nc1cccc(c1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1

InChI Key: InChIKey=BDVXIJYOMPKSRZ-UCVANPEUSA-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 = 50188316   
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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50188316
PNG
(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazi...)
Show SMILES CCC(=O)Nc1cccc(c1)[C@@]12C[C@@H]1[C@@H](CC2)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C30H39ClFN5O2/c1-3-28(38)33-22-7-4-6-21(18-22)30-11-10-27(24(30)20-30)37(13-5-12-36-16-14-35(2)15-17-36)29(39)34-23-8-9-26(32)25(31)19-23/h4,6-9,18-19,24,27H,3,5,10-17,20H2,1-2H3,(H,33,38)(H,34,39)/t24-,27-,30-/m1/s1
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Similars

Article
PubMed
3.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1


Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair