BDBM10115 9-fluoro-7-methoxy-5-(1H-pyrrol-2-yl)-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaen-3-one::trisubstituted naphthostyril analogue 6a

SMILES: COc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23

InChI Key: InChIKey=YZVUSTSAIKJMLH-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10115   

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
CDK2/CycE (Homo sapiens (Human))	BDBM10115 (9-fluoro-7-methoxy-5-(1H-pyrrol-2-yl)-2-azatricycl...) Show SMILES COc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23 Show InChI InChI=1S/C16H11FN2O2/c1-21-12-7-8(10-3-2-6-18-10)13-15-11(19-16(13)20)5-4-9(17)14(12)15/h2-7,18H,1H3,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/s0960-894x(03)00488-8 BindingDB Entry DOI: 10.7270/Q2W37TJG
					More data for this Ligand-Target Pair