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BDBM50386951 CHEMBL2048816

SMILES: CC(C)COc1ccc(CN2CC3(C2)CCN(CC3)C(=O)Cc2nc3ccccc3s2)cc1

InChI Key: InChIKey=STFHTGMPYZSCNN-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 = 50386951   
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))
BDBM50386951
PNG
(CHEMBL2048816)
Show SMILES CC(C)COc1ccc(CN2CC3(C2)CCN(CC3)C(=O)Cc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C27H33N3O2S/c1-20(2)17-32-22-9-7-21(8-10-22)16-29-18-27(19-29)11-13-30(14-12-27)26(31)15-25-28-23-5-3-4-6-24(23)33-25/h3-10,20H,11-19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50386951
PNG
(CHEMBL2048816)
Show SMILES CC(C)COc1ccc(CN2CC3(C2)CCN(CC3)C(=O)Cc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C27H33N3O2S/c1-20(2)17-32-22-9-7-21(8-10-22)16-29-18-27(19-29)11-13-30(14-12-27)26(31)15-25-28-23-5-3-4-6-24(23)33-25/h3-10,20H,11-19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 86n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair