BDBM130588 US8822447, 66

SMILES: Cc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4nc[nH]c4c3)ccc12

InChI Key: InChIKey=FXOUKIMZXIBVCA-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 130588   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ketohexokinase (KHK) Isoform C (Homo sapiens (Human))	BDBM130588 (US8822447, 66) Show SMILES Cc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4nc[nH]c4c3)ccc12 Show InChI InChI=1S/C22H17N5O/c1-14-18-9-8-16(12-21(18)27(26-14)17-5-3-2-4-6-17)25-22(28)15-7-10-19-20(11-15)24-13-23-19/h2-13H,1H3,(H,23,24)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	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