BDBM50389971 CHEMBL2071197

SMILES: COc1cnc(Nc2cnn(C)c2)nc1N[C@@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1C(N)=O

InChI Key: InChIKey=KWNQIKSDUIQHRX-XXSPCDMZSA-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 = 50389971   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389971 (CHEMBL2071197) Show SMILES COc1cnc(Nc2cnn(C)c2)nc1N[C@@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1C(N)=O |r,c:22| Show InChI InChI=1S/C17H21N7O2/c1-24-8-11(6-20-24)21-17-19-7-12(26-2)16(23-17)22-14-10-4-3-9(5-10)13(14)15(18)25/h3-4,6-10,13-14H,5H2,1-2H3,(H2,18,25)(H2,19,21,22,23)/t9-,10+,13+,14-/m1/s1	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	922	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50389971 (CHEMBL2071197) Show SMILES COc1cnc(Nc2cnn(C)c2)nc1N[C@@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1C(N)=O |r,c:22| Show InChI InChI=1S/C17H21N7O2/c1-24-8-11(6-20-24)21-17-19-7-12(26-2)16(23-17)22-14-10-4-3-9(5-10)13(14)15(18)25/h3-4,6-10,13-14H,5H2,1-2H3,(H2,18,25)(H2,19,21,22,23)/t9-,10+,13+,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair