BDBM50146654 (S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-((S)-1-methyl-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl)-acetic acid::CHEMBL330425

SMILES CN1c2ccccc2[C@](NCC1=O)([C@H](Oc1nc(C)cc(C)n1)C(O)=O)c1ccccc1

InChI Key InChIKey=FINMPMBYTTVLPJ-QPPBQGQZSA-N

Data  9 IC50

  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 9 hits for monomerid = 50146654   

TargetEndothelin-1 receptor(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146654((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-((S)-1-methyl...)
Affinity DataIC50:  12.3nMAssay Description:Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as ra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146654((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-((S)-1-methyl...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human cytochrome P450 2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146654((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-((S)-1-methyl...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human cytochrome P450 2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146654((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-((S)-1-methyl...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146654((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-((S)-1-methyl...)
Affinity DataIC50:  184nMAssay Description:Displacement of [125I]-ET-1 from human ETB receptor expressed in CHO cell membranes after 2 hrs by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146654((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-((S)-1-methyl...)
Affinity DataIC50:  184nMAssay Description:Displacement of [125I]-ET-1 from human ETB receptor expressed in CHO cell membranes after 2 hrs by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin-1 receptor(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146654((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-((S)-1-methyl...)
Affinity DataIC50:  12nMAssay Description:Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin-1 receptor(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146654((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-((S)-1-methyl...)
Affinity DataIC50:  12nMAssay Description:Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146654((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-((S)-1-methyl...)
Affinity DataIC50:  184nMAssay Description:Antagonist activity towards human recombinant Endothelin B receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as ra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed