BDBM14206 N-cyclopentyl-3-(2-{[3-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-7-yl)benzamide::pyrrolopyrimidine 29

SMILES: CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NC4CCCC4)c3n2)c1

InChI Key: InChIKey=DUOOTOLPNJEZIM-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 = 14206   

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
Serine/threonine-protein kinase Aurora-A (Mus musculus (mouse))	BDBM14206 (N-cyclopentyl-3-(2-{[3-(4-methylpiperazin-1-yl)phe...) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NC4CCCC4)c3n2)c1 Show InChI InChI=1S/C29H33N7O/c1-34-14-16-35(17-15-34)25-10-5-9-24(19-25)32-29-30-20-22-12-13-36(27(22)33-29)26-11-4-6-21(18-26)28(37)31-23-7-2-3-8-23/h4-6,9-13,18-20,23H,2-3,7-8,14-17H2,1H3,(H,31,37)(H,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
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