BDBM50053302 CHEMBL3323030

SMILES: CC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=GGJCZPLBRALOLX-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 = 50053302   

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))	BDBM50053302 (CHEMBL3323030) Show SMILES CC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H18F3N5O3/c1-14(33)28-17-6-2-4-15(10-17)21-13-32(31-30-21)19-8-9-22(34)20(12-19)23(35)29-18-7-3-5-16(11-18)24(25,26)27/h2-13,34H,1H3,(H,28,33)(H,29,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of Aurora B (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs				Bioorg Med Chem 22: 4855-66 (2014) Article DOI: 10.1016/j.bmc.2014.06.047 BindingDB Entry DOI: 10.7270/Q2PV6N11
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50053302 (CHEMBL3323030) Show SMILES CC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccc(O)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H18F3N5O3/c1-14(33)28-17-6-2-4-15(10-17)21-13-32(31-30-21)19-8-9-22(34)20(12-19)23(35)29-18-7-3-5-16(11-18)24(25,26)27/h2-13,34H,1H3,(H,28,33)(H,29,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs				Bioorg Med Chem 22: 4855-66 (2014) Article DOI: 10.1016/j.bmc.2014.06.047 BindingDB Entry DOI: 10.7270/Q2PV6N11
					More data for this Ligand-Target Pair