BDBM50146714 (S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-1-(4-methoxy-benzyl)-5-(3-methoxy-phenyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-acetic acid::CHEMBL316629
SMILES: COc1ccc(CN2c3ccccc3[C@](NCC2=O)([C@H](Oc2nc(C)cc(C)n2)C(O)=O)c2cccc(OC)c2)cc1
InChI Key: InChIKey=UMVOCHGUCRDMRD-PPTMTGTBSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50146714 ((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-1-(4-met...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd. Curated by ChEMBL | Assay Description Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as ra... | J Med Chem 47: 2776-95 (2004) Article DOI: 10.1021/jm031115r BindingDB Entry DOI: 10.7270/Q2Z89BVT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (Homo sapiens (Human)) | BDBM50146714 ((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-1-(4-met...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 94.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd. Curated by ChEMBL | Assay Description Antagonist activity towards human recombinant Endothelin B receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as ra... | J Med Chem 47: 2776-95 (2004) Article DOI: 10.1021/jm031115r BindingDB Entry DOI: 10.7270/Q2Z89BVT | |||||||||||
More data for this Ligand-Target Pair |