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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 918.0
BDBM50089428

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50089428
PNG
(CHEMBL3578007)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 70n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inverse agonist activity at human GHSR1a receptor expressed in COS-7 cells assessed as inositol phosphate accumulation after 2 hrs by anion exchange ...


J Med Chem 58: 4180-93 (2015)


Article DOI: 10.1021/jm501702q
BindingDB Entry DOI: 10.7270/Q2P84DNK
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50089428
PNG
(CHEMBL3578007)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 70.2n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inverse agonist activity at human GHSR1a receptor expressed in COS-7 cells assessed as inositol phosphate accumulation after 2 hrs by anion exchange ...


J Med Chem 58: 4180-93 (2015)


Article DOI: 10.1021/jm501702q
BindingDB Entry DOI: 10.7270/Q2P84DNK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50089428
PNG
(CHEMBL3578007)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Agonist activity at human neuropeptide Y Y2 receptor expressed in COS-7 cells cotransfected with chimeric Gi/q protein assessed as inositol phosphate...


J Med Chem 58: 4180-93 (2015)


Article DOI: 10.1021/jm501702q
BindingDB Entry DOI: 10.7270/Q2P84DNK
More data for this
Ligand-Target Pair