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BDBM50214279 (5R,8R,11S)-5-[(3-chlorophenyl)methyl]-8-(propan-2-yl)-11-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-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::CHEMBL277329

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]-[#6]-[#7]-2)-[#7]-[#6]-1=O

InChI Key: InChIKey=ZKKSOCYZPAWTOY-FULLSBAXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50214279   
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))
BDBM50214279
PNG
((5R,8R,11S)-5-[(3-chlorophenyl)methyl]-8-(propan-2...)
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]-[#6]-[#7]-2)-[#7]-[#6]-1=O
Show InChI InChI=1S/C32H44ClN7O4/c1-21(2)28-31(43)39-26(20-38-32-36-14-7-15-37-32)29(41)35-13-6-10-23-9-3-4-12-27(23)44-17-16-34-25(30(42)40-28)19-22-8-5-11-24(33)18-22/h3-5,8-9,11-12,18,21,25-26,28,34H,6-7,10,13-17,19-20H2,1-2H3,(H,35,41)(H,39,43)(H,40,42)(H2,36,37,38)/t25-,26+,28-/m1/s1
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Article
PubMed
87n/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