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BDBM50440252 CHEMBL2426686

SMILES: COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1

InChI Key: InChIKey=NOLZCWDIRAGCGH-XMMPIXPASA-N

Data: 2 KI

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 = 50440252   
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))
BDBM50440252
PNG
(CHEMBL2426686)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r|
Show InChI InChI=1S/C26H30N6O2/c1-34-22-5-3-20(27-16-22)15-25(33)30-12-8-26(9-13-30)17-31(18-26)24-7-2-19-14-21(4-6-23(19)24)32-28-10-11-29-32/h3-6,10-11,14,16,24H,2,7-9,12-13,15,17-18H2,1H3/t24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50440252
PNG
(CHEMBL2426686)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r|
Show InChI InChI=1S/C26H30N6O2/c1-34-22-5-3-20(27-16-22)15-25(33)30-12-8-26(9-13-30)17-31(18-26)24-7-2-19-14-21(4-6-23(19)24)32-28-10-11-29-32/h3-6,10-11,14,16,24H,2,7-9,12-13,15,17-18H2,1H3/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>3.80E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid sc...


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair