BDBM50396462 SABIPORIDE
SMILES: NC(=N)NC(=O)c1ccc(N2CCN(CC2)C(=O)c2ccc[nH]2)c(c1)C(F)(F)F
InChI Key: InChIKey=SRRHGTUDJFMQIV-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium/hydrogen exchanger 1 (Homo sapiens (Human)) | BDBM50396462 (SABIPORIDE) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins | J Med Chem 55: 7114-40 (2012) Article DOI: 10.1021/jm300601d BindingDB Entry DOI: 10.7270/Q2FB5430 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50396462 (SABIPORIDE) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibiton of CYP3A4 in human liver microsomes using 7-benzyloxy-4-(trifluoromethyl)-coumarin as substrate after 30 mins by LC/MS/MS analysis | J Med Chem 55: 7114-40 (2012) Article DOI: 10.1021/jm300601d BindingDB Entry DOI: 10.7270/Q2FB5430 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50396462 (SABIPORIDE) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibiton of CYP2C19 in human liver microsomes using 7-ethoxy-3-cyanocoumarin as substrate after 45 mins by LC/MS/MS analysis | J Med Chem 55: 7114-40 (2012) Article DOI: 10.1021/jm300601d BindingDB Entry DOI: 10.7270/Q2FB5430 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium/hydrogen exchanger 1 (Homo sapiens (Human)) | BDBM50396462 (SABIPORIDE) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 172 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min... | J Med Chem 55: 7114-40 (2012) Article DOI: 10.1021/jm300601d BindingDB Entry DOI: 10.7270/Q2FB5430 | |||||||||||
More data for this Ligand-Target Pair |