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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 = 'BDBM50153546'   
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))
BDBM50153546
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(2-oxo-pyrrolidin-1-y...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCN3CCCC3=O)onc2-c2c(Cl)cccc2Cl)cc1 |(8.03,-3.46,;6.56,-2.99,;6.23,-1.5,;7.38,-.45,;8.85,-.92,;4.77,-1.01,;3.62,-2.06,;2.18,-1.57,;1.85,-.08,;.38,.39,;-.75,-.64,;-.44,-2.13,;-2.23,-.17,;-2.7,1.3,;-1.81,2.54,;-2.43,3.96,;-1.53,5.19,;,5.19,;.47,6.66,;-.79,7.54,;-2.02,6.66,;-3.49,7.13,;-4.24,1.3,;-4.73,-.17,;-3.47,-1.06,;-3.47,-2.6,;-4.8,-3.39,;-6.13,-2.6,;-4.8,-4.92,;-3.47,-5.7,;-2.11,-4.92,;-2.11,-3.37,;-.58,-3.37,;2.99,.95,;4.44,.49,)|
Show InChI InChI=1S/C26H28Cl2N4O3/c1-3-31(4-2)18-12-10-17(11-13-18)29-26(34)24-21(14-16-32-15-6-9-22(32)33)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-8,10-13H,3-4,6,9,14-16H2,1-2H3,(H,29,34)
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n/an/a 18n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit ghrelin induced increase in intracellular [Ca2+] in CHO-K cells was determined by FLIPR assay


Bioorg Med Chem Lett 14: 5223-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.060
BindingDB Entry DOI: 10.7270/Q2Z60NJD
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50153546
PNG
(3-(2,6-Dichloro-phenyl)-5-[2-(2-oxo-pyrrolidin-1-y...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCN3CCCC3=O)onc2-c2c(Cl)cccc2Cl)cc1 |(8.03,-3.46,;6.56,-2.99,;6.23,-1.5,;7.38,-.45,;8.85,-.92,;4.77,-1.01,;3.62,-2.06,;2.18,-1.57,;1.85,-.08,;.38,.39,;-.75,-.64,;-.44,-2.13,;-2.23,-.17,;-2.7,1.3,;-1.81,2.54,;-2.43,3.96,;-1.53,5.19,;,5.19,;.47,6.66,;-.79,7.54,;-2.02,6.66,;-3.49,7.13,;-4.24,1.3,;-4.73,-.17,;-3.47,-1.06,;-3.47,-2.6,;-4.8,-3.39,;-6.13,-2.6,;-4.8,-4.92,;-3.47,-5.7,;-2.11,-4.92,;-2.11,-3.37,;-.58,-3.37,;2.99,.95,;4.44,.49,)|
Show InChI InChI=1S/C26H28Cl2N4O3/c1-3-31(4-2)18-12-10-17(11-13-18)29-26(34)24-21(14-16-32-15-6-9-22(32)33)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-8,10-13H,3-4,6,9,14-16H2,1-2H3,(H,29,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]-ghrelin from cloned human GHS-R expressed in CHO-K cells was determined (Kd of ghrelin is 0.4 nM)


Bioorg Med Chem Lett 14: 5223-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.060
BindingDB Entry DOI: 10.7270/Q2Z60NJD
More data for this
Ligand-Target Pair