BDBM50329843 6-Butoxy-3-(3-carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol-5-yl)methyl]-4-oxo-1,4-dihydroquinoline-2-carboxylic acid::CHEMBL1271586
SMILES: CCCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1
InChI Key: InChIKey=KAAWXPGZQHJMQL-UHFFFAOYSA-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)) | BDBM50329843 (6-Butoxy-3-(3-carboxybenzyl)-1-[(6-ethylbenzo[d][1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.44 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University Curated by ChEMBL | Assay Description Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer | Bioorg Med Chem Lett 20: 6840-4 (2010) Article DOI: 10.1016/j.bmcl.2010.08.074 BindingDB Entry DOI: 10.7270/Q2X34XPP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human)) | BDBM50329843 (6-Butoxy-3-(3-carboxybenzyl)-1-[(6-ethylbenzo[d][1...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 548 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University Curated by ChEMBL | Assay Description Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay | Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50329843 (6-Butoxy-3-(3-carboxybenzyl)-1-[(6-ethylbenzo[d][1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University Curated by ChEMBL | Assay Description Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay | Bioorg Med Chem Lett 27: 2281-2285 (2017) Article DOI: 10.1016/j.bmcl.2017.04.049 BindingDB Entry DOI: 10.7270/Q2Q52S21 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (Homo sapiens (Human)) | BDBM50329843 (6-Butoxy-3-(3-carboxybenzyl)-1-[(6-ethylbenzo[d][1...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 548 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University Curated by ChEMBL | Assay Description Displacement of [125I]ET1 from human ETB receptor expressed in membranes | Bioorg Med Chem Lett 20: 6840-4 (2010) Article DOI: 10.1016/j.bmcl.2010.08.074 BindingDB Entry DOI: 10.7270/Q2X34XPP | |||||||||||
More data for this Ligand-Target Pair |