BDBM123104 (S)-2-cyclohexyl-2-(4-(5-isopropyl-1H-pyrazol-3-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)ethanol (3)
SMILES: CC(C)c1cc(Nc2nc(N[C@H](CO)C3CCCCC3)nc3n[nH]cc23)[nH]n1
InChI Key: InChIKey=ISQKTZJQIVTQSH-OAHLLOKOSA-N
Data: 1 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 (P. aeruginosa) (Pseudomonas aeruginosa (G-proteobacteria)) | BDBM123104 ((S)-2-cyclohexyl-2-(4-(5-isopropyl-1H-pyrazol-3-yl...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | 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 |