BDBM50141460 (5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(3-hydroxy-2-methyl-propyl)-4-methoxy-phenyl]-2-isopropylamino-6,7-dihydro-5H-[1]pyrindine-6-carboxylic acid::CHEMBL288247
SMILES: COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CC(C)CO)c1
InChI Key: InChIKey=KBHRSNOQJNLUNL-DULCMVPVSA-N
Data: 4 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)) | BDBM50141460 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(3-hydroxy...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0590 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor | Bioorg Med Chem Lett 14: 1503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.008 BindingDB Entry DOI: 10.7270/Q23R0SB4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human)) | BDBM50141460 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(3-hydroxy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor | Bioorg Med Chem Lett 14: 1503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.008 BindingDB Entry DOI: 10.7270/Q23R0SB4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50141460 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(3-hydroxy...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor | Bioorg Med Chem Lett 14: 1503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.008 BindingDB Entry DOI: 10.7270/Q23R0SB4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (Homo sapiens (Human)) | BDBM50141460 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(3-hydroxy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against [125I]-ET-1 binding to human endothelin B receptor | Bioorg Med Chem Lett 14: 1503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.008 BindingDB Entry DOI: 10.7270/Q23R0SB4 | |||||||||||
More data for this Ligand-Target Pair |