BDBM50389245 CHEMBL2063457

SMILES: Cn1nc(N)c2c(cccc12)C(=O)Nc1cccc(CNC(=O)Nc2cccc(F)c2)c1

InChI Key: InChIKey=FLYCRDMYTAJQRM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50389245   

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
Aurora kinase A (Homo sapiens (Human))	BDBM50389245 (CHEMBL2063457) Show SMILES Cn1nc(N)c2c(cccc12)C(=O)Nc1cccc(CNC(=O)Nc2cccc(F)c2)c1 Show InChI InChI=1S/C23H21FN6O2/c1-30-19-10-4-9-18(20(19)21(25)29-30)22(31)27-16-7-2-5-14(11-16)13-26-23(32)28-17-8-3-6-15(24)12-17/h2-12H,13H2,1H3,(H2,25,29)(H,27,31)(H2,26,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4528-31 (2012) Article DOI: 10.1016/j.bmcl.2012.05.125 BindingDB Entry DOI: 10.7270/Q2T154RT
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50389245 (CHEMBL2063457) Show SMILES Cn1nc(N)c2c(cccc12)C(=O)Nc1cccc(CNC(=O)Nc2cccc(F)c2)c1 Show InChI InChI=1S/C23H21FN6O2/c1-30-19-10-4-9-18(20(19)21(25)29-30)22(31)27-16-7-2-5-14(11-16)13-26-23(32)28-17-8-3-6-15(24)12-17/h2-12H,13H2,1H3,(H2,25,29)(H,27,31)(H2,26,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	938	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4528-31 (2012) Article DOI: 10.1016/j.bmcl.2012.05.125 BindingDB Entry DOI: 10.7270/Q2T154RT
					More data for this Ligand-Target Pair