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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Growth hormone secretagogue receptor type 1' and Ligand = 'BDBM50264486'   
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))
BDBM50264486
PNG
(CHEMBL489401 | N-(4-acetamidophenyl)-2-(3-chloroph...)
Show SMILES CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccc(NC(C)=O)cc1 |r|
Show InChI InChI=1S/C22H26ClN3O3/c1-15(29-21-7-3-5-17(23)13-21)22(28)26(14-19-6-4-12-24-19)20-10-8-18(9-11-20)25-16(2)27/h3,5,7-11,13,15,19,24H,4,6,12,14H2,1-2H3,(H,25,27)/t15?,19-/m1/s1
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Article
PubMed
260n/an/an/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to GHSR (unknown origin)


Bioorg Med Chem Lett 18: 5083-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50264486
PNG
(CHEMBL489401 | N-(4-acetamidophenyl)-2-(3-chloroph...)
Show SMILES CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccc(NC(C)=O)cc1 |r|
Show InChI InChI=1S/C22H26ClN3O3/c1-15(29-21-7-3-5-17(23)13-21)22(28)26(14-19-6-4-12-24-19)20-10-8-18(9-11-20)25-16(2)27/h3,5,7-11,13,15,19,24H,4,6,12,14H2,1-2H3,(H,25,27)/t15?,19-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at GHSR (unknown origin)


Bioorg Med Chem Lett 18: 5083-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.120
BindingDB Entry DOI: 10.7270/Q2V69JF9
More data for this
Ligand-Target Pair