BDBM47238 US9012475, MLN8237

SMILES: COc1cc(Nc2ncc3CN=C(c4c(F)cccc4OC)c4c(Cl)cccc4-c3n2)ccc1C(O)=O

InChI Key: InChIKey=ORGQNRJTEJDZTI-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 = 47238   

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))	BDBM47238 (US9012475, MLN8237) Show SMILES COc1cc(Nc2ncc3CN=C(c4c(F)cccc4OC)c4c(Cl)cccc4-c3n2)ccc1C(O)=O |t:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-20-8-4-7-19(29)23(20)25-22-17(5-3-6-18(22)28)24-14(12-30-25)13-31-27(33-24)32-15-9-10-16(26(34)35)21(11-15)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	7.4	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The method for measuring the in-vitro inhibitory activity of a test compound against Aurora B kinase activity was substantially the same as in the ca...				US Patent US9012475 (2015) BindingDB Entry DOI: 10.7270/Q2MW2FWZ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM47238 (US9012475, MLN8237) Show SMILES COc1cc(Nc2ncc3CN=C(c4c(F)cccc4OC)c4c(Cl)cccc4-c3n2)ccc1C(O)=O |t:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-20-8-4-7-19(29)23(20)25-22-17(5-3-6-18(22)28)24-14(12-30-25)13-31-27(33-24)32-15-9-10-16(26(34)35)21(11-15)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The method for measuring the in-vitro inhibitory activity of a test compound against Aurora B kinase activity was substantially the same as in the ca...				US Patent US9012475 (2015) BindingDB Entry DOI: 10.7270/Q2MW2FWZ
					More data for this Ligand-Target Pair