BDBM50443503 CHEMBL3087819

SMILES: Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3ccncc3)c2[nH]1

InChI Key: InChIKey=ZBCLLHNIOJFNHN-UHFFFAOYSA-N

Data: 4 IC50

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 = 50443503   

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))	BDBM50443503 (CHEMBL3087819) Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3ccncc3)c2[nH]1 Show InChI InChI=1S/C23H18ClN7O2/c1-13-17(12-31(2)30-13)21-28-19-20(18(24)11-26-22(19)29-21)33-16-5-3-14(4-6-16)23(32)27-15-7-9-25-10-8-15/h3-12H,1-2H3,(H,25,27,32)(H,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+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))	BDBM50443503 (CHEMBL3087819) Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3ccncc3)c2[nH]1 Show InChI InChI=1S/C23H18ClN7O2/c1-13-17(12-31(2)30-13)21-28-19-20(18(24)11-26-22(19)29-21)33-16-5-3-14(4-6-16)23(32)27-15-7-9-25-10-8-15/h3-12H,1-2H3,(H,25,27,32)(H,26,28,29)	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	190	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))	BDBM50443503 (CHEMBL3087819) Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3ccncc3)c2[nH]1 Show InChI InChI=1S/C23H18ClN7O2/c1-13-17(12-31(2)30-13)21-28-19-20(18(24)11-26-22(19)29-21)33-16-5-3-14(4-6-16)23(32)27-15-7-9-25-10-8-15/h3-12H,1-2H3,(H,25,27,32)(H,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.45E+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))	BDBM50443503 (CHEMBL3087819) Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)Nc3ccncc3)c2[nH]1 Show InChI InChI=1S/C23H18ClN7O2/c1-13-17(12-31(2)30-13)21-28-19-20(18(24)11-26-22(19)29-21)33-16-5-3-14(4-6-16)23(32)27-15-7-9-25-10-8-15/h3-12H,1-2H3,(H,25,27,32)(H,26,28,29)	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	580	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