BDBM123102 (1-(4-(3-cyclopropyl-1H-pyrazol-5-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-2-yl)methanol (1)

SMILES: OCC1CCCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2c[nH]nc2n1

InChI Key: InChIKey=YKDFQYJWKSLGGG-UHFFFAOYSA-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 = 123102   

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))	BDBM123102 ((1-(4-(3-cyclopropyl-1H-pyrazol-5-ylamino)-1H-pyra...) Show SMILES OCC1CCCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2c[nH]nc2n1 Show InChI InChI=1S/C17H22N8O/c26-9-11-3-1-2-6-25(11)17-20-15(12-8-18-24-16(12)21-17)19-14-7-13(22-23-14)10-4-5-10/h7-8,10-11,26H,1-6,9H2,(H3,18,19,20,21,22,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	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