BDBM50460791 CHEMBL4227284

SMILES: Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCCCC2)c2ccccn2)n1)-c1cn[nH]c1

InChI Key: InChIKey=JGQWCDPUDLKBMX-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 = 50460791   

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))	BDBM50460791 (CHEMBL4227284) Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCCCC2)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C24H25N9S/c1-16-15-33-20(17-12-27-28-13-17)14-26-24(33)23(29-16)30-21-11-19(31-34-21)22(18-7-3-4-8-25-18)32-9-5-2-6-10-32/h3-4,7-8,11-15,22H,2,5-6,9-10H2,1H3,(H,27,28)(H,29,30)	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	<16	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 A (Homo sapiens (Human))	BDBM50460791 (CHEMBL4227284) Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCCCC2)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C24H25N9S/c1-16-15-33-20(17-12-27-28-13-17)14-26-24(33)23(29-16)30-21-11-19(31-34-21)22(18-7-3-4-8-25-18)32-9-5-2-6-10-32/h3-4,7-8,11-15,22H,2,5-6,9-10H2,1H3,(H,27,28)(H,29,30)	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))	BDBM50460791 (CHEMBL4227284) Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(N2CCCCC2)c2ccccn2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C24H25N9S/c1-16-15-33-20(17-12-27-28-13-17)14-26-24(33)23(29-16)30-21-11-19(31-34-21)22(18-7-3-4-8-25-18)32-9-5-2-6-10-32/h3-4,7-8,11-15,22H,2,5-6,9-10H2,1H3,(H,27,28)(H,29,30)	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