BDBM50145943 CHEMBL3763801
SMILES: CN1CCCN(Cc2ccc(cc2)-c2ccc(CN3CCCN(C)CC3)cc2)CC1
InChI Key: InChIKey=TWFFUNAOPDQCSB-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Choline kinase alpha (Homo sapiens (Human)) | BDBM50145943 (CHEMBL3763801) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 457 | 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 | |||||||||||||
Choline kinase alpha (Homo sapiens (Human)) | BDBM50145943 (CHEMBL3763801) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of ChoKalpha in human MDA-MB-468 cells assessed as reduction in phosphocholine level after 24 hrs by NMR analysis | 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)) | BDBM50145943 (CHEMBL3763801) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | 382 | 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 |