BindingDB logo
myBDB logout

BDBM50199359 (9R,12R,15S)-9-benzo[b]thiophen-3-ylmethyl-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::CHEMBL450634

SMILES: CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2csc3ccccc23)NCCOc2ccccc2CCCNC1=O)C(C)C

InChI Key: InChIKey=ZWFDZDQFUCUABT-IWVFXYMLSA-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 = 50199359   
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))		BDBM50199359
PNG
((9R,12R,15S)-9-benzo[b]thiophen-3-ylmethyl-12-isop...)
Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2csc3ccccc23)NCCOc2ccccc2CCCNC1=O)C(C)C
Show InChI InChI=1S/C32H42N4O4S/c1-4-10-25-30(37)34-16-9-12-22-11-5-7-14-27(22)40-18-17-33-26(31(38)36-29(21(2)3)32(39)35-25)19-23-20-41-28-15-8-6-13-24(23)28/h5-8,11,13-15,20-21,25-26,29,33H,4,9-10,12,16-19H2,1-3H3,(H,34,37)(H,35,39)(H,36,38)/t25-,26+,29+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
 11n/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