BDBM50174971 CHEMBL3810338

SMILES: CCOCc1nc2n(nc(C)c2c(=O)n1Cc1ccccc1)-c1ccccc1

InChI Key: InChIKey=XTVNBESVMFQDMH-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 = 50174971   

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))	BDBM50174971 (CHEMBL3810338) Show SMILES CCOCc1nc2n(nc(C)c2c(=O)n1Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H22N4O2/c1-3-28-15-19-23-21-20(16(2)24-26(21)18-12-8-5-9-13-18)22(27)25(19)14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article 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) Article DOI: 10.1016/j.bmcl.2016.05.004 BindingDB Entry DOI: 10.7270/Q2930W40
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50174971 (CHEMBL3810338) Show SMILES CCOCc1nc2n(nc(C)c2c(=O)n1Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H22N4O2/c1-3-28-15-19-23-21-20(16(2)24-26(21)18-12-8-5-9-13-18)22(27)25(19)14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article 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) Article DOI: 10.1016/j.bmcl.2016.05.004 BindingDB Entry DOI: 10.7270/Q2930W40
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50174971 (CHEMBL3810338) Show SMILES CCOCc1nc2n(nc(C)c2c(=O)n1Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H22N4O2/c1-3-28-15-19-23-21-20(16(2)24-26(21)18-12-8-5-9-13-18)22(27)25(19)14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article 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) Article DOI: 10.1016/j.bmcl.2016.05.004 BindingDB Entry DOI: 10.7270/Q2930W40
					More data for this Ligand-Target Pair