Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 284.3 BDBM50026598

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

Found 4 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 (Homo sapiens (Human))	BDBM50026598 (CHEMBL3335356) Show SMILES Cc1ccc(cc1O)C(=O)c1cc2cc(O)ccc2s1 Show InChI InChI=1S/C16H12O3S/c1-9-2-3-10(7-13(9)18)16(19)15-8-11-6-12(17)4-5-14(11)20-15/h2-8,17-18H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate				ACS Med Chem Lett 5: 963-7 (2014) Article DOI: 10.1021/ml500059y BindingDB Entry DOI: 10.7270/Q28K7BPQ
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50026598 (CHEMBL3335356) Show SMILES Cc1ccc(cc1O)C(=O)c1cc2cc(O)ccc2s1 Show InChI InChI=1S/C16H12O3S/c1-9-2-3-10(7-13(9)18)16(19)15-8-11-6-12(17)4-5-14(11)20-15/h2-8,17-18H,1H3	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	195	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17-betaHSD1 (unknown origin)				ACS Med Chem Lett 5: 963-7 (2014) Article DOI: 10.1021/ml500059y BindingDB Entry DOI: 10.7270/Q28K7BPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50026598 (CHEMBL3335356) Show SMILES Cc1ccc(cc1O)C(=O)c1cc2cc(O)ccc2s1 Show InChI InChI=1S/C16H12O3S/c1-9-2-3-10(7-13(9)18)16(19)15-8-11-6-12(17)4-5-14(11)20-15/h2-8,17-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of recombinant Dyrk1B (unknown origin) using KKISGRLSPIMTEQ-NH2 peptide substrate				ACS Med Chem Lett 5: 963-7 (2014) Article DOI: 10.1021/ml500059y BindingDB Entry DOI: 10.7270/Q28K7BPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50026598 (CHEMBL3335356) Show SMILES Cc1ccc(cc1O)C(=O)c1cc2cc(O)ccc2s1 Show InChI InChI=1S/C16H12O3S/c1-9-2-3-10(7-13(9)18)16(19)15-8-11-6-12(17)4-5-14(11)20-15/h2-8,17-18H,1H3	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of recombinant Dyrk1A (unknown origin) using KKISGRLSPIMTEQ-NH2 peptide substrate				ACS Med Chem Lett 5: 963-7 (2014) Article DOI: 10.1021/ml500059y BindingDB Entry DOI: 10.7270/Q28K7BPQ
					More data for this Ligand-Target Pair