new BindingDB logo
myBDB logout

BDBM50198573 (S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-4-(4-fluorophenethyl)piperazin-2-one::(S)-4-(4-fluorophenethyl)-1-(6-((diethylamino)-methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-2-one::CHEMBL214629

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

InChI Key: InChIKey=XWZAXTGZXFCRFU-SANMLTNESA-N

Data: 2 KI  3 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 5 hits for monomerid = 50198573   
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))
BDBM50198573
PNG
((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/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


(Homo sapiens (Human))
BDBM50198573
PNG
((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of binding to MCH-R1


Bioorg Med Chem Lett 17: 819-22 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.052
BindingDB Entry DOI: 10.7270/Q2736QKD
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50198573
PNG
((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50198573
PNG
((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of binding to hERG


Bioorg Med Chem Lett 17: 819-22 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.052
BindingDB Entry DOI: 10.7270/Q2736QKD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50198573
PNG
((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O
Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3/t26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch-clamp method


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