BDBM50460770 CHEMBL4225181

SMILES: Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(F)n3)ns2)n1)-c1cn[nH]c1

InChI Key: InChIKey=YNZDLALCXBAODY-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 50460770   

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))	BDBM50460770 (CHEMBL4225181) Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(F)n3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H15FN8S/c1-11-10-28-15(12-7-22-23-8-12)9-21-19(28)18(24-11)26-17-6-14(27-29-17)5-13-3-2-4-16(20)25-13/h2-4,6-10H,5H2,1H3,(H,22,23)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay				Bioorg Med Chem Lett 28: 1397-1403 (2018) Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50460770 (CHEMBL4225181) Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(F)n3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H15FN8S/c1-11-10-28-15(12-7-22-23-8-12)9-21-19(28)18(24-11)26-17-6-14(27-29-17)5-13-3-2-4-16(20)25-13/h2-4,6-10H,5H2,1H3,(H,22,23)(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<13	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of Aurora B (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay				Bioorg Med Chem Lett 28: 1397-1403 (2018) Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50460770 (CHEMBL4225181) Show SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(F)n3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H15FN8S/c1-11-10-28-15(12-7-22-23-8-12)9-21-19(28)18(24-11)26-17-6-14(27-29-17)5-13-3-2-4-16(20)25-13/h2-4,6-10H,5H2,1H3,(H,22,23)(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of Aurora B in human HCT116 cells assessed as reduction in phosphorylation of Histone H3 at Ser10 residue incubated for 1 hr by Hoechst 33...				Bioorg Med Chem Lett 28: 1397-1403 (2018) Article DOI: 10.1016/j.bmcl.2018.02.037 BindingDB Entry DOI: 10.7270/Q2K35X91
					More data for this Ligand-Target Pair