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BDBM50151162 (S)-3-(2-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3-hydroxy-2-oxo-4-trifluoromethyl-2,3-dihydro-1H-indole-6-carboxylic acid amide::CHEMBL360227

SMILES: CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccccc1Cl

InChI Key: InChIKey=YSSPGXCFFITNCE-OAQYLSRUSA-N

Data: 3 IC50

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

Found 3 hits for monomerid = 50151162   
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))
BDBM50151162
PNG
((S)-3-(2-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1
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Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin


J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50151162
PNG
((S)-3-(2-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50151162
PNG
((S)-3-(2-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1
PDB

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Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair