Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 331.1 BDBM50097857

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50097857 (CHEMBL3589668) Show SMILES OC(=O)c1nc2cc(Cl)ccc2c2[nH]c3c(Cl)cccc3c12 Show InChI InChI=1S/C16H8Cl2N2O2/c17-7-4-5-8-11(6-7)19-15(16(21)22)12-9-2-1-3-10(18)13(9)20-14(8)12/h1-6,20H,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50097857 (CHEMBL3589668) Show SMILES OC(=O)c1nc2cc(Cl)ccc2c2[nH]c3c(Cl)cccc3c12 Show InChI InChI=1S/C16H8Cl2N2O2/c17-7-4-5-8-11(6-7)19-15(16(21)22)12-9-2-1-3-10(18)13(9)20-14(8)12/h1-6,20H,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50097857 (CHEMBL3589668) Show SMILES OC(=O)c1nc2cc(Cl)ccc2c2[nH]c3c(Cl)cccc3c12 Show InChI InChI=1S/C16H8Cl2N2O2/c17-7-4-5-8-11(6-7)19-15(16(21)22)12-9-2-1-3-10(18)13(9)20-14(8)12/h1-6,20H,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair