BDBM50348644 CHEMBL1801134

SMILES: Cc1cc(Nc2nc(Sc3ccc(F)cc3)cn3c(cnc23)-c2cn[nH]c2)sn1

InChI Key: InChIKey=LEJNMWZPQMLOST-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 = 50348644   

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))	BDBM50348644 (CHEMBL1801134) Show SMILES Cc1cc(Nc2nc(Sc3ccc(F)cc3)cn3c(cnc23)-c2cn[nH]c2)sn1 Show InChI InChI=1S/C19H14FN7S2/c1-11-6-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-13(20)3-5-14/h2-10H,1H3,(H,22,23)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 20: 5170-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.008 BindingDB Entry DOI: 10.7270/Q2Q81DGH
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50348644 (CHEMBL1801134) Show SMILES Cc1cc(Nc2nc(Sc3ccc(F)cc3)cn3c(cnc23)-c2cn[nH]c2)sn1 Show InChI InChI=1S/C19H14FN7S2/c1-11-6-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-13(20)3-5-14/h2-10H,1H3,(H,22,23)(H,24,25)	PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay				Bioorg Med Chem Lett 20: 5170-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.008 BindingDB Entry DOI: 10.7270/Q2Q81DGH
					More data for this Ligand-Target Pair