BDBM123109 2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-(tetrahydro-2H-pyran-4-yl)ethanol (8)
SMILES: Cn1nc(Nc2nc(NC(CO)C3CCOCC3)nc3n[nH]cc23)cc1C(C)(C)C
InChI Key: InChIKey=BTEOKQZZSSCBFW-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MurC (Escherichia coli) | BDBM123109 (2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylamino)-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | 25 |
AstraZeneca India Pvt. Ltd. | Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN... | ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurC (P. aeruginosa) (Pseudomonas aeruginosa (G-proteobacteria)) | BDBM123109 (2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylamino)-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | 25 |
AstraZeneca India Pvt. Ltd. | Assay Description The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM... | ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X | |||||||||||
More data for this Ligand-Target Pair |