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BDBM50219039 (2R)-2-(4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamino)-2-methylphenyl]-1-piperidinyl}propyl)propanamide::CHEMBL244369

SMILES: CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)[C@H](C)c2ccc(F)cc2)CC1

InChI Key: InChIKey=AFEOXYGIEXXWKX-OAQYLSRUSA-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 = 50219039   
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)
BDBM50219039
PNG
((2R)-2-(4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamin...)
Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)[C@H](C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C28H38FN3O2/c1-19(2)27(33)31-25-11-6-20(3)26(18-25)23-12-16-32(17-13-23)15-5-14-30-28(34)21(4)22-7-9-24(29)10-8-22/h6-11,18-19,21,23H,5,12-17H2,1-4H3,(H,30,34)(H,31,33)/t21-/m1/s1
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
28n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219039
PNG
((2R)-2-(4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamin...)
Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)[C@H](C)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C28H38FN3O2/c1-19(2)27(33)31-25-11-6-20(3)26(18-25)23-12-16-32(17-13-23)15-5-14-30-28(34)21(4)22-7-9-24(29)10-8-22/h6-11,18-19,21,23H,5,12-17H2,1-4H3,(H,30,34)(H,31,33)/t21-/m1/s1
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat MCHR1 expressed in HEK293 cells assessed as effect on calcium mobilization


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair