BDBM50145918 CHEMBL3763993
SMILES: CN1CCCN(Cc2ccc(CN)cc2)CC1
InChI Key: InChIKey=AQLZGQUKWNQYPH-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)) | BDBM50145918 (CHEMBL3763993) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | n/a | 1.32E+5 | 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 | 3D Structure (crystal) | ||||||||||||
Choline kinase alpha (Homo sapiens (Human)) | BDBM50145918 (CHEMBL3763993) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 8.70E+4 | 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 | 3D Structure (crystal) | ||||||||||||
Neutrophil cytosol factor 1 (Homo sapiens) | BDBM50145918 (CHEMBL3763993) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 4.18E+5 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Binding affinity to immobilized recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cel... | J Med Chem 63: 1156-1177 (2020) Article DOI: 10.1021/acs.jmedchem.9b01492 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein arginine N-methyltransferase 6 (Homo sapiens (Human)) | BDBM50145918 (CHEMBL3763993) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-... | J Med Chem 59: 1176-83 (2016) BindingDB Entry DOI: 10.7270/Q2SF2Z11 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50145918 (CHEMBL3763993) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | 4.90E+5 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity to carbonic anhydrase2 (unknown origin) 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 |