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BDBM50395750 CHEMBL2164508

SMILES: CCN1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)c(C)cc23)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=QSHXZIMPMPKDJM-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 = 50395750   
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))
BDBM50395750
PNG
(CHEMBL2164508)
Show SMILES CCN1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)c(C)cc23)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H26Cl2N4O2/c1-3-28-8-10-29(11-9-28)14-21(30)27-23(16-4-6-17(24)7-5-16)18-12-15(2)19(25)13-20(18)26-22(23)31/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,26,31)(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
286n/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))
BDBM50395750
PNG
(CHEMBL2164508)
Show SMILES CCN1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)c(C)cc23)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H26Cl2N4O2/c1-3-28-8-10-29(11-9-28)14-21(30)27-23(16-4-6-17(24)7-5-16)18-12-15(2)19(25)13-20(18)26-22(23)31/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,26,31)(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 129n/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