BDBM50031337 CHEMBL3358097
SMILES: COc1ccc(cc1OCCNS(C)(=O)=O)-c1nc([C@@H](C)Sc2nc(N)cc(N)n2)c(C)s1
InChI Key: InChIKey=MBPWFMBRNJJXFY-GFCCVEGCSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Deoxycytidine kinase (Homo sapiens (Human)) | BDBM50031337 (CHEMBL3358097) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Apparent inhibition of human dCK by steady-state kinetic assay | J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Deoxycytidine kinase (Homo sapiens (Human)) | BDBM50031337 (CHEMBL3358097) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Apparent inhibition of human dCK assessed as phosphorylation activity by spectroscopic NADH-dependent enzyme-coupled assay | J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Deoxycytidine kinase (Homo sapiens (Human)) | BDBM50031337 (CHEMBL3358097) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC uptake by scintillation counting analysis | J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |