BDBM50352332 CHEMBL1822644

SMILES: Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)SC(C)(C)C)cc3)nn3cccc23)n[nH]1

InChI Key: InChIKey=LJTYFOPORRMVFP-PZJWPPBQSA-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 = 50352332   

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))	BDBM50352332 (CHEMBL1822644) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)SC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H34N8O2S2/c1-17-12-23(32-31-17)29-25-22-6-5-11-35(22)33-26(30-25)38-20-9-7-18(8-10-20)28-24(37)15-34-14-21(13-19(34)16-36)39-27(2,3)4/h5-12,19,21,36H,13-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t19-,21+/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	39	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))	BDBM50352332 (CHEMBL1822644) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)SC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H34N8O2S2/c1-17-12-23(32-31-17)29-25-22-6-5-11-35(22)33-26(30-25)38-20-9-7-18(8-10-20)28-24(37)15-34-14-21(13-19(34)16-36)39-27(2,3)4/h5-12,19,21,36H,13-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t19-,21+/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	111	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))	BDBM50352332 (CHEMBL1822644) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)SC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H34N8O2S2/c1-17-12-23(32-31-17)29-25-22-6-5-11-35(22)33-26(30-25)38-20-9-7-18(8-10-20)28-24(37)15-34-14-21(13-19(34)16-36)39-27(2,3)4/h5-12,19,21,36H,13-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t19-,21+/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	1.79E+3	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