BDBM50097418 CHEMBL41816

SMILES: Nc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-c2n1

InChI Key: InChIKey=FBRAIVNJLBZIIY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50097418   

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 B (Homo sapiens (Human))	BDBM50097418 (CHEMBL41816) Show SMILES Nc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-c2n1 |t:6| Show InChI InChI=1S/C18H12ClFN4/c19-11-5-6-12-14(7-11)17(13-3-1-2-4-15(13)20)22-8-10-9-23-18(21)24-16(10)12/h1-7,9H,8H2,(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Inhibition of aurora kinase B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence analysis				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM50097418 (CHEMBL41816) Show SMILES Nc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-c2n1 |t:6| Show InChI InChI=1S/C18H12ClFN4/c19-11-5-6-12-14(7-11)17(13-3-1-2-4-15(13)20)22-8-10-9-23-18(21)24-16(10)12/h1-7,9H,8H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells using biotin-GLRRASLG as substrate in presence of [gamma-33P]ATP				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50097418 (CHEMBL41816) Show SMILES Nc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-c2n1 |t:6| Show InChI InChI=1S/C18H12ClFN4/c19-11-5-6-12-14(7-11)17(13-3-1-2-4-15(13)20)22-8-10-9-23-18(21)24-16(10)12/h1-7,9H,8H2,(H2,21,23,24)	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	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Inhibition of aurora kinase A autophosphorylation at T288 in human HCT116 cells by immunofluorescence analysis				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair