BDBM50378774 CHEMBL1964276

SMILES: O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nn(CC2CCCO2)cc1-c1ccnc2[nH]ccc12

InChI Key: InChIKey=UVGSPPQDSXBTJW-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 = 50378774   

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))	BDBM50378774 (CHEMBL1964276) Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nn(CC2CCCO2)cc1-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C28H26N6O2/c35-28(31-20-5-2-1-3-6-20)32-21-10-8-19(9-11-21)26-25(18-34(33-26)17-22-7-4-16-36-22)23-12-14-29-27-24(23)13-15-30-27/h1-3,5-6,8-15,18,22H,4,7,16-17H2,(H,29,30)(H2,31,32,35)	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	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora A				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50378774 (CHEMBL1964276) Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nn(CC2CCCO2)cc1-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C28H26N6O2/c35-28(31-20-5-2-1-3-6-20)32-21-10-8-19(9-11-21)26-25(18-34(33-26)17-22-7-4-16-36-22)23-12-14-29-27-24(23)13-15-30-27/h1-3,5-6,8-15,18,22H,4,7,16-17H2,(H,29,30)(H2,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair