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BDBM50214254 (5R,8R,11S)-5-[(3-chlorophenyl)methyl]-11-(1H-imidazol-1-ylmethyl)-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::CHEMBL393439

SMILES: CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2ccnc2)NC1=O

InChI Key: InChIKey=OJANYNHKONQMSR-FULLSBAXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50214254   
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))		BDBM50214254
PNG
((5R,8R,11S)-5-[(3-chlorophenyl)methyl]-11-(1H-imid...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2ccnc2)NC1=O
Show InChI InChI=1S/C31H39ClN6O4/c1-21(2)28-31(41)36-26(19-38-15-13-33-20-38)29(39)35-12-6-9-23-8-3-4-11-27(23)42-16-14-34-25(30(40)37-28)18-22-7-5-10-24(32)17-22/h3-5,7-8,10-11,13,15,17,20-21,25-26,28,34H,6,9,12,14,16,18-19H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)/t25-,26+,28-/m1/s1
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 62n/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