BindingDB logo
myBDB logout

BDBM50060731 2-(2,4-Dichloro-phenoxymethyl)-1-methyl-3-piperidin-1-ylmethyl-1H-indole::CHEMBL123410

SMILES: Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc12

InChI Key: InChIKey=CBTXBKZASCULII-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50060731   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060731
PNG
(2-(2,4-Dichloro-phenoxymethyl)-1-methyl-3-piperidi...)
Show SMILES Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C22H24Cl2N2O/c1-25-20-8-4-3-7-17(20)18(14-26-11-5-2-6-12-26)21(25)15-27-22-10-9-16(23)13-19(22)24/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.26E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50060731
PNG
(2-(2,4-Dichloro-phenoxymethyl)-1-methyl-3-piperidi...)
Show SMILES Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C22H24Cl2N2O/c1-25-20-8-4-3-7-17(20)18(14-26-11-5-2-6-12-26)21(25)15-27-22-10-9-16(23)13-19(22)24/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for human Neuropeptide Y receptor type 2


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50060731
PNG
(2-(2,4-Dichloro-phenoxymethyl)-1-methyl-3-piperidi...)
Show SMILES Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C22H24Cl2N2O/c1-25-20-8-4-3-7-17(20)18(14-26-11-5-2-6-12-26)21(25)15-27-22-10-9-16(23)13-19(22)24/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for human Neuropeptide Y receptor type 5


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM50060731
PNG
(2-(2,4-Dichloro-phenoxymethyl)-1-methyl-3-piperidi...)
Show SMILES Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C22H24Cl2N2O/c1-25-20-8-4-3-7-17(20)18(14-26-11-5-2-6-12-26)21(25)15-27-22-10-9-16(23)13-19(22)24/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for human Neuropeptide Y receptor type 4


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair