BDBM50145945 CHEMBL3764278
SMILES: CN1CCCN(Cc2ccc(cc2)-c2ccc(CN3CCCN(C)CC3)c(F)c2F)CC1
InChI Key: InChIKey=MRNZJSWWGMFFPS-UHFFFAOYSA-N
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 |
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Choline kinase alpha (Homo sapiens (Human)) | BDBM50145945 (CHEMBL3764278) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay | J Med Chem 59: 671-86 (2016) BindingDB Entry DOI: 10.7270/Q23X88HX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Choline kinase alpha (Homo sapiens (Human)) | BDBM50145945 (CHEMBL3764278) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem | PubMed | n/a | n/a | 233 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of human N-terminal truncated ChoKalpha1 (75 to 457 residues) using choline chloride as substrate measured over 10 to 30 mins by coupled A... | J Med Chem 59: 671-86 (2016) BindingDB Entry DOI: 10.7270/Q23X88HX | |||||||||||
More data for this Ligand-Target Pair |