BDBM50460778 CHEMBL4226184

SMILES: Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCC(F)CC2)c2ccccn2)n1)-c1cn[nH]c1

InChI Key: InChIKey=YCQCAONBOQIGLE-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 = 50460778   

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))	BDBM50460778 (CHEMBL4226184) Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCC(F)CC2)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C24H24FN9S/c1-15-14-34-20(16-11-28-29-12-16)13-27-24(34)23(30-15)31-21-10-19(32-35-21)22(18-4-2-3-7-26-18)33-8-5-17(25)6-9-33/h2-4,7,10-14,17,22H,5-6,8-9H2,1H3,(H,28,29)(H,30,31)	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	83	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
Aurora kinase B (Homo sapiens (Human))	BDBM50460778 (CHEMBL4226184) Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCC(F)CC2)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C24H24FN9S/c1-15-14-34-20(16-11-28-29-12-16)13-27-24(34)23(30-15)31-21-10-19(32-35-21)22(18-4-2-3-7-26-18)33-8-5-17(25)6-9-33/h2-4,7,10-14,17,22H,5-6,8-9H2,1H3,(H,28,29)(H,30,31)	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 A (Homo sapiens (Human))	BDBM50460778 (CHEMBL4226184) Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCC(F)CC2)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C24H24FN9S/c1-15-14-34-20(16-11-28-29-12-16)13-27-24(34)23(30-15)31-21-10-19(32-35-21)22(18-4-2-3-7-26-18)33-8-5-17(25)6-9-33/h2-4,7,10-14,17,22H,5-6,8-9H2,1H3,(H,28,29)(H,30,31)	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