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BDBM50264357 2-(3-Chloro-phenoxy)-N-(2-methyl-benzyl)-N-(R)-1-pyrrolidin-2-ylmethyl-propionamide::CHEMBL482420

SMILES: CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)Cc1ccccc1C

InChI Key: InChIKey=BQEIZLKZBLOQNR-UUSAFJCLSA-N

Data: 1 KI  1 EC50

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 = 50264357   
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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50264357
PNG
(2-(3-Chloro-phenoxy)-N-(2-methyl-benzyl)-N-(R)-1-p...)
Show SMILES CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)Cc1ccccc1C |r|
Show InChI InChI=1S/C22H27ClN2O2/c1-16-7-3-4-8-18(16)14-25(15-20-10-6-12-24-20)22(26)17(2)27-21-11-5-9-19(23)13-21/h3-5,7-9,11,13,17,20,24H,6,10,12,14-15H2,1-2H3/t17?,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
90n/an/an/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to GHSR (unknown origin)


Bioorg Med Chem Lett 18: 5083-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50264357
PNG
(2-(3-Chloro-phenoxy)-N-(2-methyl-benzyl)-N-(R)-1-p...)
Show SMILES CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)Cc1ccccc1C |r|
Show InChI InChI=1S/C22H27ClN2O2/c1-16-7-3-4-8-18(16)14-25(15-20-10-6-12-24-20)22(26)17(2)27-21-11-5-9-19(23)13-21/h3-5,7-9,11,13,17,20,24H,6,10,12,14-15H2,1-2H3/t17?,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at GHSR (unknown origin)


Bioorg Med Chem Lett 18: 5083-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9
More data for this
Ligand-Target Pair