BDBM50460775 CHEMBL4226657

SMILES: Cc1ccnc(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cn[nH]c3)sn2)c1

InChI Key: InChIKey=YRBTWWVMRDALFA-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 = 50460775   

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))	BDBM50460775 (CHEMBL4226657) Show SMILES Cc1ccnc(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cn[nH]c3)sn2)c1 Show InChI InChI=1S/C20H18N8S/c1-12-3-4-21-15(5-12)6-16-7-18(29-27-16)26-19-20-22-10-17(14-8-23-24-9-14)28(20)11-13(2)25-19/h3-5,7-11H,6H2,1-2H3,(H,23,24)(H,25,26)	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))	BDBM50460775 (CHEMBL4226657) Show SMILES Cc1ccnc(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cn[nH]c3)sn2)c1 Show InChI InChI=1S/C20H18N8S/c1-12-3-4-21-15(5-12)6-16-7-18(29-27-16)26-19-20-22-10-17(14-8-23-24-9-14)28(20)11-13(2)25-19/h3-5,7-11H,6H2,1-2H3,(H,23,24)(H,25,26)	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	376	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))	BDBM50460775 (CHEMBL4226657) Show SMILES Cc1ccnc(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cn[nH]c3)sn2)c1 Show InChI InChI=1S/C20H18N8S/c1-12-3-4-21-15(5-12)6-16-7-18(29-27-16)26-19-20-22-10-17(14-8-23-24-9-14)28(20)11-13(2)25-19/h3-5,7-11H,6H2,1-2H3,(H,23,24)(H,25,26)	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