BDBM50146683 (S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-phenyl-1-(2,4,6-trifluoro-benzyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-acetic acid::CHEMBL329477
SMILES: Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc23)c2ccccc2)n1
InChI Key: InChIKey=GDAGOGOXJLUVGB-OFSOJUDTSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
EDNRB (Homo sapiens (Human)) | BDBM50146683 ((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 83.6 | 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 | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50146683 ((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd. Curated by ChEMBL | Assay Description Inhibition of human cytochrome P450 2D6 | 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 | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50146683 ((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.5 | 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 | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50146683 ((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd. Curated by ChEMBL | Assay Description Inhibition of human cytochrome P450 2C9 | 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 | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50146683 ((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd. Curated by ChEMBL | Assay Description Inhibition of human cytochrome P450 3A4 | 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 |