BDBM50524389 CHEMBL4525944
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
InChI Key: InChIKey=PGKQOVNBSQECEZ-HUBRGWSESA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine kinase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50524389 (CHEMBL4525944) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas A&M University Curated by ChEMBL | Assay Description Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli... | J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine kinase (Homo sapiens (Human)) | BDBM50524389 (CHEMBL4525944) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas A&M University Curated by ChEMBL | Assay Description Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ... | J Med Chem 62: 4483-4499 (2019) Article DOI: 10.1021/acs.jmedchem.9b00020 | |||||||||||
More data for this Ligand-Target Pair |