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BDBM50199347 (9R,12R,15S)-9-benzyl-12-isopropyl-15-propyl-6,7,8,9,11,12,14,15,17,18,19,20-dodecahydro-5-oxa-8,11,14,17-tetraaza-benzocyclooctadecene-10,13,16-trione::CHEMBL215440

SMILES: CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NCCOc2ccccc2CCCNC1=O)C(C)C

InChI Key: InChIKey=CQYJNYALIHVMOZ-ZWEKWIFMSA-N

Data: 1 KI

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

Found 1 hit for monomerid = 50199347   
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))		BDBM50199347
PNG
((9R,12R,15S)-9-benzyl-12-isopropyl-15-propyl-6,7,8...)
Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NCCOc2ccccc2CCCNC1=O)C(C)C
Show InChI InChI=1S/C30H42N4O4/c1-4-11-24-28(35)32-17-10-15-23-14-8-9-16-26(23)38-19-18-31-25(20-22-12-6-5-7-13-22)29(36)34-27(21(2)3)30(37)33-24/h5-9,12-14,16,21,24-25,27,31H,4,10-11,15,17-20H2,1-3H3,(H,32,35)(H,33,37)(H,34,36)/t24-,25+,27+/m0/s1
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Article
PubMed
 57n/an/an/an/an/an/an/an/a



Tranzyme Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from human MOTR

J Med Chem 49: 7190-7 (2006)


Article DOI: 10.1021/jm0606600
BindingDB Entry DOI: 10.7270/Q2251JZH
More data for this
Ligand-Target Pair