BindingDB logo
myBDB logout

BDBM50199386 (9R,12R,15S)-9-(4-amino-butyl)-12-isopropyl-15-propyl-6,7,8,9,11,12,14,15,17,18-decahydro-5-oxa-8,11,14,17-tetraaza-benzocyclooctadecene-10,13,16-trione::CHEMBL385273

SMILES: CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NCCOc2ccccc2\C=C\CNC1=O)C(C)C

InChI Key: InChIKey=OMRBFPOTXKVBNW-FVQQHVHLSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50199386   
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))
BDBM50199386
PNG
((9R,12R,15S)-9-(4-amino-butyl)-12-isopropyl-15-pro...)
Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NCCOc2ccccc2\C=C\CNC1=O)C(C)C
Show InChI InChI=1S/C27H43N5O4/c1-4-10-22-25(33)30-16-9-12-20-11-5-6-14-23(20)36-18-17-29-21(13-7-8-15-28)26(34)32-24(19(2)3)27(35)31-22/h5-6,9,11-12,14,19,21-22,24,29H,4,7-8,10,13,15-18,28H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)/b12-9+/t21-,22+,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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