Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 288.2 BDBM50026609

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
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50026609 (CHEMBL3335359) Show SMILES Oc1ccc2sc(cc2c1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C15H9FO3S/c16-11-3-1-8(6-12(11)18)15(19)14-7-9-5-10(17)2-4-13(9)20-14/h1-7,17-18H	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	89	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis				Eur J Med Chem 103: 56-68 (2015) Article DOI: 10.1016/j.ejmech.2015.08.030 BindingDB Entry DOI: 10.7270/Q22V2HXX
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50026609 (CHEMBL3335359) Show SMILES Oc1ccc2sc(cc2c1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C15H9FO3S/c16-11-3-1-8(6-12(11)18)15(19)14-7-9-5-10(17)2-4-13(9)20-14/h1-7,17-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50026609 (CHEMBL3335359) Show SMILES Oc1ccc2sc(cc2c1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C15H9FO3S/c16-11-3-1-8(6-12(11)18)15(19)14-7-9-5-10(17)2-4-13(9)20-14/h1-7,17-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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))	BDBM50026609 (CHEMBL3335359) Show SMILES Oc1ccc2sc(cc2c1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C15H9FO3S/c16-11-3-1-8(6-12(11)18)15(19)14-7-9-5-10(17)2-4-13(9)20-14/h1-7,17-18H	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	1.20E+3	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