BDBM50423627 CHEMBL409739

SMILES: Oc1c(C(c2cccc(c2)[N+]([O-])=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12

InChI Key: InChIKey=WGXVUBFJTUAQOL-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 = 50423627   

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))	BDBM50423627 (CHEMBL409739) Show SMILES Oc1c(C(c2cccc(c2)[N+]([O-])=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C25H15NO8/c27-22-15-8-1-3-10-17(15)33-24(29)20(22)19(13-6-5-7-14(12-13)26(31)32)21-23(28)16-9-2-4-11-18(16)34-25(21)30/h1-12,19,27-28H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of jack bean urease				Bioorg Med Chem 16: 3456-61 (2008) Article DOI: 10.1016/j.bmc.2005.09.048 BindingDB Entry DOI: 10.7270/Q2474C5K
					More data for this Ligand-Target Pair