BDBM10139 3-[9-fluoro-3-oxo-5-(1H-pyrrol-2-yl)-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaen-7-yl]propanenitrile::trisubstituted naphthostyril analogue 4e

SMILES: Fc1ccc2NC(=O)c3c(cc(CCC#N)c1c23)-c1ccc[nH]1

InChI Key: InChIKey=PJIZRNLSHFUIAW-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 = 10139   

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))	BDBM10139 (3-[9-fluoro-3-oxo-5-(1H-pyrrol-2-yl)-2-azatricyclo...) Show SMILES Fc1ccc2NC(=O)c3c(cc(CCC#N)c1c23)-c1ccc[nH]1 Show InChI InChI=1S/C18H12FN3O/c19-12-5-6-14-17-15(12)10(3-1-7-20)9-11(13-4-2-8-21-13)16(17)18(23)22-14/h2,4-6,8-9,21H,1,3H2,(H,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
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