BDBM50352326 CHEMBL1822650

SMILES: CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O

InChI Key: InChIKey=MXYMWTPPSBKBGN-VXKWHMMOSA-N

Data: 1 IC50  2 Kd

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 = 50352326   

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))	BDBM50352326 (CHEMBL1822650) Show SMILES CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r| Show InChI InChI=1S/C27H34N8O3S/c1-5-27(3,4)38-22-15-34(14-21(22)36)16-24(37)28-18-8-10-19(11-9-18)39-26-30-25(20-7-6-12-35(20)33-26)29-23-13-17(2)31-32-23/h6-13,21-22,36H,5,14-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50352326 (CHEMBL1822650) Show SMILES CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r| Show InChI InChI=1S/C27H34N8O3S/c1-5-27(3,4)38-22-15-34(14-21(22)36)16-24(37)28-18-8-10-19(11-9-18)39-26-30-25(20-7-6-12-35(20)33-26)29-23-13-17(2)31-32-23/h6-13,21-22,36H,5,14-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora A kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352326 (CHEMBL1822650) Show SMILES CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O |r| Show InChI InChI=1S/C27H34N8O3S/c1-5-27(3,4)38-22-15-34(14-21(22)36)16-24(37)28-18-8-10-19(11-9-18)39-26-30-25(20-7-6-12-35(20)33-26)29-23-13-17(2)31-32-23/h6-13,21-22,36H,5,14-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair