Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 351.4 BDBM130655

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

Found 2 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
Ketohexokinase (Homo sapiens (Human))	BDBM130655 (US8822447, 163 | US9771375, Example 163) Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)CC1CCCN1 Show InChI InChI=1S/C20H21N3OS/c1-25-20-17-10-9-14(19(24)13-15-6-5-11-21-15)12-18(17)23(22-20)16-7-3-2-4-8-16/h2-4,7-10,12,15,21H,5-6,11,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...				US Patent US9771375 (2017) BindingDB Entry DOI: 10.7270/Q20R9RJW
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM130655 (US8822447, 163 | US9771375, Example 163) Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)CC1CCCN1 Show InChI InChI=1S/C20H21N3OS/c1-25-20-17-10-9-14(19(24)13-15-6-5-11-21-15)12-18(17)23(22-20)16-7-3-2-4-8-16/h2-4,7-10,12,15,21H,5-6,11,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.28E+3	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...				US Patent US8822447 (2014) BindingDB Entry DOI: 10.7270/Q2M0443Q
					More data for this Ligand-Target Pair