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BDBM50214257 (5R,8R,11S)-5-[(3-chlorophenyl)methyl]-11-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-8-(propan-2-yl)-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trione::CHEMBL409410

SMILES: [#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2cccc(Cl)c2)-[#7]-[#6]-[#6]-[#8]-c2ccccc2-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)-[#7]-[#6]-1=O

InChI Key: InChIKey=MHMGFOWRNHIOLN-CMTIAEDTSA-N

Data: 1 KI

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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 1 hit for monomerid = 50214257   
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
Motilin receptor


(Homo sapiens (Human))
BDBM50214257
PNG
((5R,8R,11S)-5-[(3-chlorophenyl)methyl]-11-[(4,5-di...)
Show SMILES [#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2cccc(Cl)c2)-[#7]-[#6]-[#6]-[#8]-c2ccccc2-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)-[#7]-[#6]-1=O
Show InChI InChI=1S/C31H42ClN7O4/c1-20(2)27-30(42)38-25(19-37-31-35-13-14-36-31)28(40)34-12-6-9-22-8-3-4-11-26(22)43-16-15-33-24(29(41)39-27)18-21-7-5-10-23(32)17-21/h3-5,7-8,10-11,17,20,24-25,27,33H,6,9,12-16,18-19H2,1-2H3,(H,34,40)(H,38,42)(H,39,41)(H2,35,36,37)/t24-,25+,27-/m1/s1
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Article
PubMed
51n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-motilin from human motilin receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4187-90 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.043
BindingDB Entry DOI: 10.7270/Q2GF0T62
More data for this
Ligand-Target Pair