BDBM50345911 CHEMBL1783852::CHEMBL1789669::N-(diaminomethylene)-3-nitro-4-((4-(2,3,4-trimethoxybenzyl)piperazin-1-yl)methyl)benzamide hydrochloride
SMILES: COc1ccc(CN2CCN(Cc3ccc(cc3[N+]([O-])=O)C(=O)NC(N)=N)CC2)c(OC)c1OC
InChI Key: InChIKey=RYJLAOOTBSUKSD-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium/hydrogen exchanger 1 (Rattus norvegicus) | BDBM50345911 (CHEMBL1783852 | CHEMBL1789669 | N-(diaminomethylen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.82 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis | Eur J Med Chem 46: 4107-16 (2011) Article DOI: 10.1016/j.ejmech.2011.06.011 BindingDB Entry DOI: 10.7270/Q27081T0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium/hydrogen exchanger 1 (Rattus norvegicus) | BDBM50345911 (CHEMBL1783852 | CHEMBL1789669 | N-(diaminomethylen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of NHE1-mediated rat platelet swelling | Bioorg Med Chem Lett 19: 3283-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.079 BindingDB Entry DOI: 10.7270/Q2BR8SJ1 | |||||||||||
More data for this Ligand-Target Pair |