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BDBM50440257 CHEMBL2426669

SMILES: COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H](C)c3ccc(cc3)-c3ncccn3)CC2)nc1

InChI Key: InChIKey=OBWXZZBFWOHLCS-GNLPSFAGNA-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 = 50440257   
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))
BDBM50440257
PNG
(CHEMBL2426669)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H](C)c3ccc(cc3)-c3ncccn3)CC2)nc1
Show InChI InChI=1/C27H31N5O2/c1-20(21-4-6-22(7-5-21)26-28-12-3-13-29-26)32-18-27(19-32)10-14-31(15-11-27)25(33)16-23-8-9-24(34-2)17-30-23/h3-9,12-13,17,20H,10-11,14-16,18-19H2,1-2H3/t20-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.12E+3n/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))
BDBM50440257
PNG
(CHEMBL2426669)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H](C)c3ccc(cc3)-c3ncccn3)CC2)nc1
Show InChI InChI=1/C27H31N5O2/c1-20(21-4-6-22(7-5-21)26-28-12-3-13-29-26)32-18-27(19-32)10-14-31(15-11-27)25(33)16-23-8-9-24(34-2)17-30-23/h3-9,12-13,17,20H,10-11,14-16,18-19H2,1-2H3/t20-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.24E+3n/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