BDBM130593 US8822447, 71::US9771375, Example 71

SMILES: CC1CN(CCN1)c1ccc2c(C)nn(-c3ccccc3)c2c1

InChI Key: InChIKey=BELRGSFMCTVTGY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 130593   

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))	BDBM130593 (US8822447, 71 | US9771375, Example 71) Show SMILES CC1CN(CCN1)c1ccc2c(C)nn(-c3ccccc3)c2c1 Show InChI InChI=1S/C19H22N4/c1-14-13-22(11-10-20-14)17-8-9-18-15(2)21-23(19(18)12-17)16-6-4-3-5-7-16/h3-9,12,14,20H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	400	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 (KHK) Isoform C (Homo sapiens (Human))	BDBM130593 (US8822447, 71 | US9771375, Example 71) Show SMILES CC1CN(CCN1)c1ccc2c(C)nn(-c3ccccc3)c2c1 Show InChI InChI=1S/C19H22N4/c1-14-13-22(11-10-20-14)17-8-9-18-15(2)21-23(19(18)12-17)16-6-4-3-5-7-16/h3-9,12,14,20H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	400	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