BDBM50174752 CHEMBL3808845

SMILES: CCOC(=O)Cn1c(COC)nc2n(nc(C)c2c1=O)-c1ccccc1

InChI Key: InChIKey=UTETXDQMQGLQQH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50174752   

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
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50174752 (CHEMBL3808845) Show SMILES CCOC(=O)Cn1c(COC)nc2n(nc(C)c2c1=O)-c1ccccc1 Show InChI InChI=1S/C18H20N4O4/c1-4-26-15(23)10-21-14(11-25-3)19-17-16(18(21)24)12(2)20-22(17)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B (unknown origin)				Bioorg Med Chem Lett 26: 3093-7 (2016) BindingDB Entry DOI: 10.7270/Q2930W40
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50174752 (CHEMBL3808845) Show SMILES CCOC(=O)Cn1c(COC)nc2n(nc(C)c2c1=O)-c1ccccc1 Show InChI InChI=1S/C18H20N4O4/c1-4-26-15(23)10-21-14(11-25-3)19-17-16(18(21)24)12(2)20-22(17)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of Abl (unknown origin)				Bioorg Med Chem Lett 26: 3093-7 (2016) BindingDB Entry DOI: 10.7270/Q2930W40
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50174752 (CHEMBL3808845) Show SMILES CCOC(=O)Cn1c(COC)nc2n(nc(C)c2c1=O)-c1ccccc1 Show InChI InChI=1S/C18H20N4O4/c1-4-26-15(23)10-21-14(11-25-3)19-17-16(18(21)24)12(2)20-22(17)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin)				Bioorg Med Chem Lett 26: 3093-7 (2016) BindingDB Entry DOI: 10.7270/Q2930W40
					More data for this Ligand-Target Pair