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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Growth hormone secretagogue receptor type 1' and Ligand = 'BDBM50161041'   
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))
BDBM50161041
PNG
(3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbo...)
Show SMILES CCN(CC)Cc1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 |(8.87,3.4,;8.12,2.05,;6.58,2.05,;5.48,3.15,;5.88,4.64,;5.81,.72,;4.28,.72,;3.48,2.03,;1.94,2.02,;1.19,.68,;-.3,1.05,;-1.39,-.03,;-.99,-1.52,;-2.86,.35,;-3.26,1.83,;-2.31,3.05,;-4.8,1.91,;-5.34,.49,;-4.14,-.47,;-4.06,-2.03,;-5.36,-2.87,;-6.73,-2.18,;-5.27,-4.42,;-3.89,-5.11,;-2.6,-4.28,;-2.7,-2.71,;-1.2,-3.12,;1.97,-.65,;3.52,-.63,)|
Show InChI InChI=1S/C22H23Cl2N3O2/c1-4-27(5-2)13-15-9-11-16(12-10-15)25-22(28)19-14(3)29-26-21(19)20-17(23)7-6-8-18(20)24/h6-12H,4-5,13H2,1-3H3,(H,25,28)
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to human growth hormone secretagogue receptor


Bioorg Med Chem Lett 15: 1201-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.075
BindingDB Entry DOI: 10.7270/Q24Q7THD
More data for this
Ligand-Target Pair