BDBM50361090 CHEMBL1933577

SMILES: CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1

InChI Key: InChIKey=KZKAHLUAYFSINX-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50361090   

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
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50361090 (CHEMBL1933577) Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1 Show InChI InChI=1S/C23H23F6N7O2/c1-34-6-8-35(9-7-34)15-2-3-19(38-23(27,28)29)17(11-15)33-21-31-5-4-16(32-21)18-10-14(20(30)37)12-36(18)13-22(24,25)26/h2-5,10-12H,6-9,13H2,1H3,(H2,30,37)(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A				Bioorg Med Chem Lett 22: 96-101 (2011) Article DOI: 10.1016/j.bmcl.2011.11.065 BindingDB Entry DOI: 10.7270/Q2W959NX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50361090 (CHEMBL1933577) Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1 Show InChI InChI=1S/C23H23F6N7O2/c1-34-6-8-35(9-7-34)15-2-3-19(38-23(27,28)29)17(11-15)33-21-31-5-4-16(32-21)18-10-14(20(30)37)12-36(18)13-22(24,25)26/h2-5,10-12H,6-9,13H2,1H3,(H2,30,37)(H,31,32,33)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of PLK1				Bioorg Med Chem Lett 22: 96-101 (2011) Article DOI: 10.1016/j.bmcl.2011.11.065 BindingDB Entry DOI: 10.7270/Q2W959NX
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50361090 (CHEMBL1933577) Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1 Show InChI InChI=1S/C23H23F6N7O2/c1-34-6-8-35(9-7-34)15-2-3-19(38-23(27,28)29)17(11-15)33-21-31-5-4-16(32-21)18-10-14(20(30)37)12-36(18)13-22(24,25)26/h2-5,10-12H,6-9,13H2,1H3,(H2,30,37)(H,31,32,33)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of Aurora-A				Bioorg Med Chem Lett 22: 96-101 (2011) Article DOI: 10.1016/j.bmcl.2011.11.065 BindingDB Entry DOI: 10.7270/Q2W959NX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50361090 (CHEMBL1933577) Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1 Show InChI InChI=1S/C23H23F6N7O2/c1-34-6-8-35(9-7-34)15-2-3-19(38-23(27,28)29)17(11-15)33-21-31-5-4-16(32-21)18-10-14(20(30)37)12-36(18)13-22(24,25)26/h2-5,10-12H,6-9,13H2,1H3,(H2,30,37)(H,31,32,33)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of PLK3				Bioorg Med Chem Lett 22: 96-101 (2011) Article DOI: 10.1016/j.bmcl.2011.11.065 BindingDB Entry DOI: 10.7270/Q2W959NX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50361090 (CHEMBL1933577) Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1 Show InChI InChI=1S/C23H23F6N7O2/c1-34-6-8-35(9-7-34)15-2-3-19(38-23(27,28)29)17(11-15)33-21-31-5-4-16(32-21)18-10-14(20(30)37)12-36(18)13-22(24,25)26/h2-5,10-12H,6-9,13H2,1H3,(H2,30,37)(H,31,32,33)	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of PLK2				Bioorg Med Chem Lett 22: 96-101 (2011) Article DOI: 10.1016/j.bmcl.2011.11.065 BindingDB Entry DOI: 10.7270/Q2W959NX
					More data for this Ligand-Target Pair