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BDBM50365829 CHEMBL1957008

SMILES: CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(F)c5cccnc45)nc3c2=O)C1

InChI Key: InChIKey=DIKDHUPJACSGDO-KRWDZBQOSA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50365829   
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))
BDBM50365829
PNG
(CHEMBL1957008)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(F)c5cccnc45)nc3c2=O)C1 |r|
Show InChI InChI=1S/C25H27FN6O2/c1-15(2)31-11-5-6-17(13-31)14-32-16(3)29-24-23(25(32)33)30-21(12-28-24)34-20-9-8-19(26)18-7-4-10-27-22(18)20/h4,7-10,12,15,17H,5-6,11,13-14H2,1-3H3/t17-/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50365829
PNG
(CHEMBL1957008)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(F)c5cccnc45)nc3c2=O)C1 |r|
Show InChI InChI=1S/C25H27FN6O2/c1-15(2)31-11-5-6-17(13-31)14-32-16(3)29-24-23(25(32)33)30-21(12-28-24)34-20-9-8-19(26)18-7-4-10-27-22(18)20/h4,7-10,12,15,17H,5-6,11,13-14H2,1-3H3/t17-/m0/s1
PDB
MMDB

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.31E+4n/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Erg by patch clamp assay


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair