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BDBM50365826 CHEMBL1957005

SMILES: CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Cl)cc4F)nc3c2=O)C1

InChI Key: InChIKey=SLLPFGCVLARIOH-HNNXBMFYSA-N

Data: 1 KI  1 IC50

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

Found 2 hits for monomerid = 50365826   
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))
BDBM50365826
PNG
(CHEMBL1957005)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Cl)cc4F)nc3c2=O)C1 |r|
Show InChI InChI=1S/C22H25ClFN5O2/c1-13(2)28-8-4-5-15(11-28)12-29-14(3)26-21-20(22(29)30)27-19(10-25-21)31-18-7-6-16(23)9-17(18)24/h6-7,9-10,13,15H,4-5,8,11-12H2,1-3H3/t15-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/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))
BDBM50365826
PNG
(CHEMBL1957005)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Cl)cc4F)nc3c2=O)C1 |r|
Show InChI InChI=1S/C22H25ClFN5O2/c1-13(2)28-8-4-5-15(11-28)12-29-14(3)26-21-20(22(29)30)27-19(10-25-21)31-18-7-6-16(23)9-17(18)24/h6-7,9-10,13,15H,4-5,8,11-12H2,1-3H3/t15-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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