BDBM50424670 CHEMBL2313918

SMILES: COc1ccc2c(c1)sc1c(Nc3ccc(Cl)c(Cl)c3)ncnc21

InChI Key: InChIKey=HCUGRPDGJCCZTG-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 = 50424670   

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))	BDBM50424670 (CHEMBL2313918) Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(Cl)c(Cl)c3)ncnc21 Show InChI InChI=1S/C17H11Cl2N3OS/c1-23-10-3-4-11-14(7-10)24-16-15(11)20-8-21-17(16)22-9-2-5-12(18)13(19)6-9/h2-8H,1H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	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
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT)	BDBM50424670 (CHEMBL2313918) Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(Cl)c(Cl)c3)ncnc21 Show InChI InChI=1S/C17H11Cl2N3OS/c1-23-10-3-4-11-14(7-10)24-16-15(11)20-8-21-17(16)22-9-2-5-12(18)13(19)6-9/h2-8H,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	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
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50424670 (CHEMBL2313918) Show SMILES COc1ccc2c(c1)sc1c(Nc3ccc(Cl)c(Cl)c3)ncnc21 Show InChI InChI=1S/C17H11Cl2N3OS/c1-23-10-3-4-11-14(7-10)24-16-15(11)20-8-21-17(16)22-9-2-5-12(18)13(19)6-9/h2-8H,1H3,(H,20,21,22)	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