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BDBM50395755 CHEMBL2164494

SMILES: CN1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)c(C)cc23)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=BTLACWYZZAXEDN-UHFFFAOYSA-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 = 50395755   
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))
BDBM50395755
PNG
(CHEMBL2164494)
Show SMILES CN1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)c(C)cc23)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H24Cl2N4O2/c1-14-11-17-19(12-18(14)24)25-21(30)22(17,15-3-5-16(23)6-4-15)26-20(29)13-28-9-7-27(2)8-10-28/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,30)(H,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
392n/an/an/an/an/an/an/an/a



Sanofi Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHSR1 expressed in CHO-CREluc cells after 1 hr by scintillation counting


Bioorg Med Chem 20: 5623-36 (2012)


Article DOI: 10.1016/j.bmc.2012.07.018
BindingDB Entry DOI: 10.7270/Q2HD7WS4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50395755
PNG
(CHEMBL2164494)
Show SMILES CN1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)c(C)cc23)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H24Cl2N4O2/c1-14-11-17-19(12-18(14)24)25-21(30)22(17,15-3-5-16(23)6-4-15)26-20(29)13-28-9-7-27(2)8-10-28/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,30)(H,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 213n/an/an/an/an/an/a



Sanofi Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GHSR1 expressed in CHO-CREluc cells after 4 hrs by Luciferase reporter assay


Bioorg Med Chem 20: 5623-36 (2012)


Article DOI: 10.1016/j.bmc.2012.07.018
BindingDB Entry DOI: 10.7270/Q2HD7WS4
More data for this
Ligand-Target Pair