BDBM50041617 (1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymethoxy-4-methoxy-phenyl)-5-propoxy-indan-2-carboxylic acid::1-benzo[d][1,3]dioxol-5-ylmethyl-3-(2-carboxymethoxy-4-methoxyphenyl)-5-propoxy-(1R,3S)-2,3-dihydro-1H-2-indenecarboxylic acid::CHEMBL8823::SB 209670::SB-209670
SMILES: CCCOc1ccc2[C@@H]([C@H]([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(O)=O)c1ccc2OCOc2c1
InChI Key: InChIKey=UUAVCCWBNUITBB-UPRLRBBYSA-N
Data: 8 KI
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)) | BDBM50041617 ((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Ability of the compound to displace endothelin ([125I]-ET-1) from human Endothelin A receptor | J Med Chem 40: 3217-27 (1997) Article DOI: 10.1021/jm970101g BindingDB Entry DOI: 10.7270/Q2C24VJR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50041617 ((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database | J Pharmacol Exp Ther 286: 650-6 (1998) BindingDB Entry DOI: 10.7270/Q2V40SSK | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50041617 ((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of [125I]-ET-1 binding to cloned human ET-A receptor | J Med Chem 37: 1553-7 (1994) BindingDB Entry DOI: 10.7270/Q2154G2V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin-1 receptor (Homo sapiens (Human)) | BDBM50041617 ((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human Endothelin A receptor in chinese hamster ovary cells | J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (Homo sapiens (Human)) | BDBM50041617 ((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 14.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human Endothelin B receptor in chinese hamster ovary cells | J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (Homo sapiens (Human)) | BDBM50041617 ((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 14.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of [125I]-ET-1 binding to cloned human ET-B receptor | J Med Chem 37: 1553-7 (1994) BindingDB Entry DOI: 10.7270/Q2154G2V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (Homo sapiens (Human)) | BDBM50041617 ((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Ability of the compound to displace endothelin ([125I]-ET-1) from human Endothelin B receptor | J Med Chem 40: 3217-27 (1997) Article DOI: 10.1021/jm970101g BindingDB Entry DOI: 10.7270/Q2C24VJR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRB (Homo sapiens (Human)) | BDBM50041617 ((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database | J Pharmacol Exp Ther 286: 650-6 (1998) BindingDB Entry DOI: 10.7270/Q2V40SSK | ||||||||||||
More data for this Ligand-Target Pair |