BDBM50130707 CHEMBL3632747

SMILES: COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C

InChI Key: InChIKey=RYUUMGNHANZHLX-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50130707   

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
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50130707 (CHEMBL3632747) Show SMILES COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C Show InChI InChI=1S/C21H25FN4O3S/c1-12(2)29-16-10-14(22)6-7-15(16)26-19-17-13(3)18(30-21(17)25-11-24-19)20(27)23-8-5-9-28-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,23,27)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...				Eur J Med Chem 103: 539-50 (2015) BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50130707 (CHEMBL3632747) Show SMILES COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C Show InChI InChI=1S/C21H25FN4O3S/c1-12(2)29-16-10-14(22)6-7-15(16)26-19-17-13(3)18(30-21(17)25-11-24-19)20(27)23-8-5-9-28-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,23,27)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of Mnk1a (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after ...				Eur J Med Chem 103: 539-50 (2015) BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50130707 (CHEMBL3632747) Show SMILES COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C Show InChI InChI=1S/C21H25FN4O3S/c1-12(2)29-16-10-14(22)6-7-15(16)26-19-17-13(3)18(30-21(17)25-11-24-19)20(27)23-8-5-9-28-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,23,27)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclinT1 (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measure...				Eur J Med Chem 103: 539-50 (2015) BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50130707 (CHEMBL3632747) Show SMILES COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C Show InChI InChI=1S/C21H25FN4O3S/c1-12(2)29-16-10-14(22)6-7-15(16)26-19-17-13(3)18(30-21(17)25-11-24-19)20(27)23-8-5-9-28-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,23,27)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair