BDBM50352309 CHEMBL1822638

SMILES: Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC(F)(F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1

InChI Key: InChIKey=FZVCMCRNWSWUCG-INIZCTEOSA-N

Data: 1 IC50  3 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 4 hits for monomerid = 50352309   

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))	BDBM50352309 (CHEMBL1822638) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC(F)(F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H24F2N8O2S/c1-14-9-19(30-29-14)27-21-18-3-2-8-33(18)31-22(28-21)36-17-6-4-15(5-7-17)26-20(35)11-32-13-23(24,25)10-16(32)12-34/h2-9,16,34H,10-13H2,1H3,(H,26,35)(H2,27,28,29,30,31)/t16-/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	5	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))	BDBM50352309 (CHEMBL1822638) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC(F)(F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H24F2N8O2S/c1-14-9-19(30-29-14)27-21-18-3-2-8-33(18)31-22(28-21)36-17-6-4-15(5-7-17)26-20(35)11-32-13-23(24,25)10-16(32)12-34/h2-9,16,34H,10-13H2,1H3,(H,26,35)(H2,27,28,29,30,31)/t16-/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
Serine/threonine-protein kinase Aurora-C (Homo sapiens (Human))	BDBM50352309 (CHEMBL1822638) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC(F)(F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H24F2N8O2S/c1-14-9-19(30-29-14)27-21-18-3-2-8-33(18)31-22(28-21)36-17-6-4-15(5-7-17)26-20(35)11-32-13-23(24,25)10-16(32)12-34/h2-9,16,34H,10-13H2,1H3,(H,26,35)(H2,27,28,29,30,31)/t16-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora C 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))	BDBM50352309 (CHEMBL1822638) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC(F)(F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H24F2N8O2S/c1-14-9-19(30-29-14)27-21-18-3-2-8-33(18)31-22(28-21)36-17-6-4-15(5-7-17)26-20(35)11-32-13-23(24,25)10-16(32)12-34/h2-9,16,34H,10-13H2,1H3,(H,26,35)(H2,27,28,29,30,31)/t16-/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	29	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