BDBM123103 (S)-2-cyclohexyl-2-(4-(3-cyclopropyl-1H-pyrazol-5-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)ethanol (2)

SMILES: OC[C@@H](Nc1nc(Nc2cc(n[nH]2)C2CC2)c2c[nH]nc2n1)C1CCCCC1

InChI Key: InChIKey=HZMBPWOGDBXQKD-OAHLLOKOSA-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 = 123103   

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))	BDBM123103 ((S)-2-cyclohexyl-2-(4-(3-cyclopropyl-1H-pyrazol-5-...) Show SMILES OC[C@@H](Nc1nc(Nc2cc(n[nH]2)C2CC2)c2c[nH]nc2n1)C1CCCCC1 |r| Show InChI InChI=1S/C19H26N8O/c28-10-15(11-4-2-1-3-5-11)21-19-23-17(13-9-20-27-18(13)24-19)22-16-8-14(25-26-16)12-6-7-12/h8-9,11-12,15,28H,1-7,10H2,(H4,20,21,22,23,24,25,26,27)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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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