BDBM14202 3-(2-{[3-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-7-yl)benzonitrile::pyrrolopyrimidine 25

SMILES: CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C#N)c3n2)c1

InChI Key: InChIKey=HZSQJXNXVSQWKB-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 = 14202   

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))	BDBM14202 (3-(2-{[3-(4-methylpiperazin-1-yl)phenyl]amino}-7H-...) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C#N)c3n2)c1 Show InChI InChI=1S/C24H23N7/c1-29-10-12-30(13-11-29)21-6-3-5-20(15-21)27-24-26-17-19-8-9-31(23(19)28-24)22-7-2-4-18(14-22)16-25/h2-9,14-15,17H,10-13H2,1H3,(H,26,27,28)	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	13	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
					More data for this Ligand-Target Pair