BDBM50443506 CHEMBL3087821

SMILES: Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)NCc3ccccc3)c2[nH]1

InChI Key: InChIKey=OUNGNTVUXRGCOK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50443506   

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))	BDBM50443506 (CHEMBL3087821) Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)NCc3ccccc3)c2[nH]1 Show InChI InChI=1S/C25H21ClN6O2/c1-15-19(14-32(2)31-15)23-29-21-22(20(26)13-27-24(21)30-23)34-18-10-8-17(9-11-18)25(33)28-12-16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,28,33)(H,27,29,30)	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	204	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))	BDBM50443506 (CHEMBL3087821) Show SMILES Cc1nn(C)cc1-c1nc2ncc(Cl)c(Oc3ccc(cc3)C(=O)NCc3ccccc3)c2[nH]1 Show InChI InChI=1S/C25H21ClN6O2/c1-15-19(14-32(2)31-15)23-29-21-22(20(26)13-27-24(21)30-23)34-18-10-8-17(9-11-18)25(33)28-12-16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,28,33)(H,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.91E+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