BDBM50093980 2-Adamantan-1-ylmethyl-4-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-5-phenyl-2H-pyrazole-3-carboxylic acid::CHEMBL314974
SMILES: OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC12CC3CC(CC(C3)C1)C2)-c1ccccc1
InChI Key: InChIKey=ZHSIKZZTRLZNEK-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
EDNRB (RAT) | BDBM50093980 (2-Adamantan-1-ylmethyl-4-(6-chloro-benzo[1,3]dioxo...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel Curated by ChEMBL | Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum | Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EDNRA (RAT) | BDBM50093980 (2-Adamantan-1-ylmethyl-4-(6-chloro-benzo[1,3]dioxo...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel Curated by ChEMBL | Assay Description In vitro binding affinity to endothelin A receptor in rat heart ventricles | Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9 | |||||||||||
More data for this Ligand-Target Pair |