BDBM50444582 CHEMBL3099715
SMILES: OCCNc1cc(nc(n1)-c1n[nH]c2cnccc12)C(F)(F)F
InChI Key: InChIKey=BQTPIWGTMSPSKT-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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DNA ligase (Staphylococcus aureus) | BDBM50444582 (CHEMBL3099715) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us... | ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA ligase (Staphylococcus aureus) | BDBM50444582 (CHEMBL3099715) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Binding affinity to C-terminal 6xHis-tagged Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) by ITC assay | ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2 | |||||||||||
More data for this Ligand-Target Pair |