BDBM123105 (S)-2-(4-(5-tert-butyl-1H-pyrazol-3-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-cyclohexylethanol (4)

SMILES: CC(C)c1cc(Nc2nc(N[C@@H](CO)C3CCCCC3)nc3n[nH]cc23)[nH]n1

InChI Key: InChIKey=ISQKTZJQIVTQSH-HNNXBMFYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 123105   

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))	BDBM123105 ((S)-2-(4-(5-tert-butyl-1H-pyrazol-3-ylamino)-1H-py...) Show SMILES CC(C)c1cc(Nc2nc(N[C@@H](CO)C3CCCCC3)nc3n[nH]cc23)[nH]n1 |r| Show InChI InChI=1S/C19H28N8O/c1-11(2)14-8-16(26-25-14)22-17-13-9-20-27-18(13)24-19(23-17)21-15(10-28)12-6-4-3-5-7-12/h8-9,11-12,15,28H,3-7,10H2,1-2H3,(H4,20,21,22,23,24,25,26,27)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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
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