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BDBM50203062 (S)-4-(4-(trifluoromethyl)phenethyl)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-2-one::CHEMBL389618

SMILES: CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(cc2)C(F)(F)F)CC1=O

InChI Key: InChIKey=CHRVPWKDWJJZRT-SANMLTNESA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50203062   
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 1


(Homo sapiens (Human))
BDBM50203062
PNG
((S)-4-(4-(trifluoromethyl)phenethyl)-1-(6-((diethy...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(cc2)C(F)(F)F)CC1=O
Show InChI InChI=1S/C28H36F3N3O/c1-3-32(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)34-16-15-33(20-27(34)35)14-13-21-6-10-25(11-7-21)28(29,30)31/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
42n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50203062
PNG
((S)-4-(4-(trifluoromethyl)phenethyl)-1-(6-((diethy...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(cc2)C(F)(F)F)CC1=O
Show InChI InChI=1S/C28H36F3N3O/c1-3-32(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)34-16-15-33(20-27(34)35)14-13-21-6-10-25(11-7-21)28(29,30)31/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MCHR1


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair