BDBM205477 PPiase inhibitor, 21
SMILES: Cc1cc(C)cc(c1)-n1cccc1-c1nc(nc(n1)N1CCCCCC1)N1CCCCCC1
InChI Key: InChIKey=QEASZOUOJFTMJL-UHFFFAOYSA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Inorganic pyrophosphatase (MtPPiase) (Mycobacterium tuberculosis) | BDBM205477 (PPiase inhibitor, 21) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.66E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky | Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... | ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inorganic pyrophosphatase (SaPPiase) (Staphylococcus aureus (Firmicutes)) | BDBM205477 (PPiase inhibitor, 21) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky | Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... | ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inorganic pyrophosphatase (ScPPiase) (Saccharomyces cerevisiae (Yeast)) | BDBM205477 (PPiase inhibitor, 21) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >6.00E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky | Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... | ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inorganic pyrophosphatase (EcPPiase) (Escherichia coli (Enterobacteria)) | BDBM205477 (PPiase inhibitor, 21) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.92E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky | Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... | ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF | |||||||||||
More data for this Ligand-Target Pair |