Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 425.5 BDBM130640

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))	BDBM130640 (US8822447, 135 | US9771375, Example 135) Show SMILES CSc1nn(-c2ccc(F)cc2)c2cc(ccc12)N1CCN(CC1)C1CCNCC1 Show InChI InChI=1S/C23H28FN5S/c1-30-23-21-7-6-20(16-22(21)29(26-23)19-4-2-17(24)3-5-19)28-14-12-27(13-15-28)18-8-10-25-11-9-18/h2-7,16,18,25H,8-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.65E+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))	BDBM130640 (US8822447, 135 | US9771375, Example 135) Show SMILES CSc1nn(-c2ccc(F)cc2)c2cc(ccc12)N1CCN(CC1)C1CCNCC1 Show InChI InChI=1S/C23H28FN5S/c1-30-23-21-7-6-20(16-22(21)29(26-23)19-4-2-17(24)3-5-19)28-14-12-27(13-15-28)18-8-10-25-11-9-18/h2-7,16,18,25H,8-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.65E+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