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BDBM50214253 (5R,8R,11S)-8-(propan-2-yl)-11-[(pyrimidin-2-ylamino)methyl]-5-{[3-(trifluoromethyl)phenyl]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::CHEMBL231744

SMILES: CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NCCOc2ccccc2CCCNC(=O)[C@H](CNc2ncccn2)NC1=O

InChI Key: InChIKey=XMNRRUOHRJXJDV-FULLSBAXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50214253   
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))		BDBM50214253
PNG
((5R,8R,11S)-8-(propan-2-yl)-11-[(pyrimidin-2-ylami...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NCCOc2ccccc2CCCNC(=O)[C@H](CNc2ncccn2)NC1=O
Show InChI InChI=1S/C33H40F3N7O4/c1-21(2)28-31(46)42-26(20-41-32-39-14-7-15-40-32)29(44)38-13-6-10-23-9-3-4-12-27(23)47-17-16-37-25(30(45)43-28)19-22-8-5-11-24(18-22)33(34,35)36/h3-5,7-9,11-12,14-15,18,21,25-26,28,37H,6,10,13,16-17,19-20H2,1-2H3,(H,38,44)(H,42,46)(H,43,45)(H,39,40,41)/t25-,26+,28-/m1/s1
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Article
PubMed
 20n/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