null

SMILES: Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)NC3CCC3)c2[nH]1

InChI Key: InChIKey=WHIMJTFHOFINSI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50443499   

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 A (Homo sapiens (Human))	BDBM50443499 (CHEMBL3087823) Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)NC3CCC3)c2[nH]1 Show InChI InChI=1S/C22H21ClN6O2/c1-12-16(11-29(2)28-12)20-26-18-19(17(23)10-24-21(18)27-20)31-15-8-6-13(7-9-15)22(30)25-14-4-3-5-14/h6-11,14H,3-5H2,1-2H3,(H,25,30)(H,24,26,27)	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	36	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of N-terminal Myc tagged wild type aurora-A at T288 in human HCT116 cells after 2 hrs				J Med Chem 56: 9122-35 (2013) Article DOI: 10.1021/jm401115g BindingDB Entry DOI: 10.7270/Q2R78GPN
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50443499 (CHEMBL3087823) Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)NC3CCC3)c2[nH]1 Show InChI InChI=1S/C22H21ClN6O2/c1-12-16(11-29(2)28-12)20-26-18-19(17(23)10-24-21(18)27-20)31-15-8-6-13(7-9-15)22(30)25-14-4-3-5-14/h6-11,14H,3-5H2,1-2H3,(H,25,30)(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal Myc tagged aurora-B-mediated histone H3 phosphorylation at S10 in human HeLa cells after 2 hrs				J Med Chem 56: 9122-35 (2013) Article DOI: 10.1021/jm401115g BindingDB Entry DOI: 10.7270/Q2R78GPN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50443499 (CHEMBL3087823) Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)NC3CCC3)c2[nH]1 Show InChI InChI=1S/C22H21ClN6O2/c1-12-16(11-29(2)28-12)20-26-18-19(17(23)10-24-21(18)27-20)31-15-8-6-13(7-9-15)22(30)25-14-4-3-5-14/h6-11,14H,3-5H2,1-2H3,(H,25,30)(H,24,26,27)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal HIS-tagged aurora-A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins				J Med Chem 56: 9122-35 (2013) Article DOI: 10.1021/jm401115g BindingDB Entry DOI: 10.7270/Q2R78GPN
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50443499 (CHEMBL3087823) Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)NC3CCC3)c2[nH]1 Show InChI InChI=1S/C22H21ClN6O2/c1-12-16(11-29(2)28-12)20-26-18-19(17(23)10-24-21(18)27-20)31-15-8-6-13(7-9-15)22(30)25-14-4-3-5-14/h6-11,14H,3-5H2,1-2H3,(H,25,30)(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full-length aurora-B (unknown origin) using 5FAMLRRASLG-CONH2 as substrate after 60 mins				J Med Chem 56: 9122-35 (2013) Article DOI: 10.1021/jm401115g BindingDB Entry DOI: 10.7270/Q2R78GPN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50443499 (CHEMBL3087823) Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)NC3CCC3)c2[nH]1 Show InChI InChI=1S/C22H21ClN6O2/c1-12-16(11-29(2)28-12)20-26-18-19(17(23)10-24-21(18)27-20)31-15-8-6-13(7-9-15)22(30)25-14-4-3-5-14/h6-11,14H,3-5H2,1-2H3,(H,25,30)(H,24,26,27)	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	70	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of N-terminal Myc tagged aurora-A at T288 in human HeLa cells after 2 hrs				J Med Chem 56: 9122-35 (2013) Article DOI: 10.1021/jm401115g BindingDB Entry DOI: 10.7270/Q2R78GPN
					More data for this Ligand-Target Pair