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BDBM50219064 CHEMBL245010::N-(3-{1-[4-(4-chlorophenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide

SMILES: CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1

InChI Key: InChIKey=INIGBMVFQMXBFW-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50219064   
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
GPR24


(RAT)
BDBM50219064
PNG
(CHEMBL245010 | N-(3-{1-[4-(4-chlorophenoxy)benzyl]...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C28H31ClN2O2/c1-20(2)28(32)30-25-5-3-4-23(18-25)22-14-16-31(17-15-22)19-21-6-10-26(11-7-21)33-27-12-8-24(29)9-13-27/h3-13,18,20,22H,14-17,19H2,1-2H3,(H,30,32)
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CHEMBL
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PC sid
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Article
PubMed
5.30n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]T226296 from rat recombinant MCH1 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50219064
PNG
(CHEMBL245010 | N-(3-{1-[4-(4-chlorophenoxy)benzyl]...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C28H31ClN2O2/c1-20(2)28(32)30-25-5-3-4-23(18-25)22-14-16-31(17-15-22)19-21-6-10-26(11-7-21)33-27-12-8-24(29)9-13-27/h3-13,18,20,22H,14-17,19H2,1-2H3,(H,30,32)
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
110n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human recombinant dopamine D2 receptor


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219064
PNG
(CHEMBL245010 | N-(3-{1-[4-(4-chlorophenoxy)benzyl]...)
Show SMILES CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C28H31ClN2O2/c1-20(2)28(32)30-25-5-3-4-23(18-25)22-14-16-31(17-15-22)19-21-6-10-26(11-7-21)33-27-12-8-24(29)9-13-27/h3-13,18,20,22H,14-17,19H2,1-2H3,(H,30,32)
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PC sid
UniChem

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Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat MCH1 receptor expressed in HEK293 cells by FLIPR calcium mobility assay


J Med Chem 50: 3883-90 (2007)


Article DOI: 10.1021/jm060383x
BindingDB Entry DOI: 10.7270/Q25D8RJM
More data for this
Ligand-Target Pair