BDBM50344952 (2R,3S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R,4S,6R)-4-(ethyl(methyl)amino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-3-hydroxy-9-((2S,4S,6S)-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yloxy)-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one::5-Ethyl-11-[4-(ethyl-methyl-amino)-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy]-3-hydroxy-9-(4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-2,4,8,10,12,14-hexamethyl-6,15-dioxa-bicyclo[10.2.1]pentadec-1(14)-en-7-one::ABT-229::CHEMBL1628277

SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C

InChI Key InChIKey=IWTSXJNGTTXMFK-DLKZTDGISA-N

Data  1 KI  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50344952   

TargetMotilin receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50344952((2R,3S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R...)
Affinity DataKi:  3.40nMAssay Description:In vitro binding affinity towards human motilin receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMotilin receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50344952((2R,3S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R...)
Affinity DataEC50:  4.20nMAssay Description:In vitro effective concentration towards human motilin receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMotilin receptor(Oryctolagus cuniculus)
Kosan Biosciences

Curated by ChEMBL
LigandPNGBDBM50344952((2R,3S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R...)
Affinity DataEC50:  7nMAssay Description:Agonist activity at motilin receptor in rabbit smooth muscle assessed as increase of muscle contractionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMotilin receptor(Oryctolagus cuniculus)
Kosan Biosciences

Curated by ChEMBL
LigandPNGBDBM50344952((2R,3S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R...)
Affinity DataEC50:  7nMAssay Description:Agonist activity at motilin receptor in rabbit smooth muscle assessed as maximal possible tissue contractionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMotilin receptor(Oryctolagus cuniculus)
Kosan Biosciences

Curated by ChEMBL
LigandPNGBDBM50344952((2R,3S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R...)
Affinity DataEC50:  7nMAssay Description:Agonist activity at motilin receptor in rabbit smooth muscle assessed as maximal possible tissue contractionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed