BDBM50424677 CHEMBL2313911

SMILES: COc1ccc2c(c1)sc1c(Nc3ccc4OCOc4c3)ncnc21

InChI Key: InChIKey=JIFJWQSFJJVKDZ-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 = 50424677   

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
Dual specificty protein kinase CLK1 (Homo sapiens (Human))	BDBM50424677 (CHEMBL2313911) Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc4OCOc4c3)ncnc21 Show InChI InChI=1S/C18H13N3O3S/c1-22-11-3-4-12-15(7-11)25-17-16(12)19-8-20-18(17)21-10-2-5-13-14(6-10)24-9-23-13/h2-8H,9H2,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt 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
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Eur J Med Chem 59: 283-95 (2013) Article DOI: 10.1016/j.ejmech.2012.11.030 BindingDB Entry DOI: 10.7270/Q2K075K7
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50424677 (CHEMBL2313911) Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc4OCOc4c3)ncnc21 Show InChI InChI=1S/C18H13N3O3S/c1-22-11-3-4-12-15(7-11)25-17-16(12)19-8-20-18(17)21-10-2-5-13-14(6-10)24-9-23-13/h2-8H,9H2,1H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank 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
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 after 30 mins by scintillation counting				Eur J Med Chem 59: 283-95 (2013) Article DOI: 10.1016/j.ejmech.2012.11.030 BindingDB Entry DOI: 10.7270/Q2K075K7
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT)	BDBM50424677 (CHEMBL2313911) Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc4OCOc4c3)ncnc21 Show InChI InChI=1S/C18H13N3O3S/c1-22-11-3-4-12-15(7-11)25-17-16(12)19-8-20-18(17)21-10-2-5-13-14(6-10)24-9-23-13/h2-8H,9H2,1H3,(H,19,20,21)	PDB UniProtKB/SwissProt 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
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate				Eur J Med Chem 59: 283-95 (2013) Article DOI: 10.1016/j.ejmech.2012.11.030 BindingDB Entry DOI: 10.7270/Q2K075K7
					More data for this Ligand-Target Pair