BDBM50234812 CHEMBL4078755

SMILES: CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cc3ccccc3s2)c1

InChI Key: InChIKey=IPHOJHHAZPKUQW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50234812   

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 specificity protein kinase CLK1/CLK4 (Homo sapiens (Human))	BDBM50234812 (CHEMBL4078755) Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cc3ccccc3s2)c1 Show InChI InChI=1S/C20H18N2O4S2/c1-3-28(23,24)14-8-9-16(25-2)15(11-14)22-20-21-12-17(26-20)19-10-13-6-4-5-7-18(13)27-19/h4-12H,3H2,1-2H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Comenius University in Bratislava Curated by ChEMBL					Assay Description Inhibition of human CLK1 using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting				Eur J Med Chem 126: 754-761 (2017) BindingDB Entry DOI: 10.7270/Q2S75JJV
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50234812 (CHEMBL4078755) Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cc3ccccc3s2)c1 Show InChI InChI=1S/C20H18N2O4S2/c1-3-28(23,24)14-8-9-16(25-2)15(11-14)22-20-21-12-17(26-20)19-10-13-6-4-5-7-18(13)27-19/h4-12H,3H2,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Comenius University in Bratislava Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting				Eur J Med Chem 126: 754-761 (2017) BindingDB Entry DOI: 10.7270/Q2S75JJV
					More data for this Ligand-Target Pair