BDBM246443 US9447057, 3

SMILES: CCOc1cccc(\C=N\c2nc(cs2)-c2ccccc2)c1O

InChI Key: InChIKey=HGXXHEGRYGFCNE-YBFXNURJSA-N

Data: 1 KI  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 = 246443   

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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM246443 (US9447057, 3) Show SMILES CCOc1cccc(\C=N\c2nc(cs2)-c2ccccc2)c1O Show InChI InChI=1S/C18H16N2O2S/c1-2-22-16-10-6-9-14(17(16)21)11-19-18-20-15(12-23-18)13-7-4-3-5-8-13/h3-12,21H,2H2,1H3/b19-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.70E+3	n/a	7.90E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
					More data for this Ligand-Target Pair