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BDBM50199392 (9R,12R,15S)-9-(4-hydroxy-benzyl)-15-isobutyl-12-isopropyl-14-methyl-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::CHEMBL214570

SMILES: CC(C)C[C@@H]1N(C)C(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O)C(C)C

InChI Key: InChIKey=NHQNHINOQQUCII-IUAQSZDVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50199392   
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))
BDBM50199392
PNG
((9R,12R,15S)-9-(4-hydroxy-benzyl)-15-isobutyl-12-i...)
Show SMILES CC(C)C[C@@H]1N(C)C(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O)C(C)C
Show InChI InChI=1S/C32H46N4O5/c1-21(2)19-27-31(39)34-16-8-10-24-9-6-7-11-28(24)41-18-17-33-26(20-23-12-14-25(37)15-13-23)30(38)35-29(22(3)4)32(40)36(27)5/h6-7,9,11-15,21-22,26-27,29,33,37H,8,10,16-20H2,1-5H3,(H,34,39)(H,35,38)/t26-,27+,29-/m1/s1
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Similars

Article
PubMed
222n/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