BDBM50534786 CHEMBL3747132

SMILES: [#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1[Se;v2][Se;v2]c1ccccc1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O)-[#6](-[#8])=O

InChI Key: InChIKey=ZEHWFHKNRVVIGV-RYUDHWBXSA-N

Data: 3 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 3 hits for monomerid = 50534786   

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 subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50534786 (CHEMBL3747132) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1[Se;v2][Se;v2]c1ccccc1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C20H20N2O6Se2/c1-11(19(25)26)21-17(23)13-7-3-5-9-15(13)29-30-16-10-6-4-8-14(16)18(24)22-12(2)20(27)28/h3-12H,1-2H3,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wroc?aw University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 using urea as substrate assessed as transformed cell u...				J Med Chem 59: 8125-33 (2016) Article DOI: 10.1021/acs.jmedchem.6b00986
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50534786 (CHEMBL3747132) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1[Se;v2][Se;v2]c1ccccc1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C20H20N2O6Se2/c1-11(19(25)26)21-17(23)13-7-3-5-9-15(13)29-30-16-10-6-4-8-14(16)18(24)22-12(2)20(27)28/h3-12H,1-2H3,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wroc?aw University of Technology Curated by ChEMBL					Assay Description Inhibition of urease in Helicobacter pylori J99 in Brucella broth using urea as substrate preincubated for 2 hrs followed by substrate addition measu...				J Med Chem 59: 8125-33 (2016) Article DOI: 10.1021/acs.jmedchem.6b00986
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50534786 (CHEMBL3747132) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1[Se;v2][Se;v2]c1ccccc1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C20H20N2O6Se2/c1-11(19(25)26)21-17(23)13-7-3-5-9-15(13)29-30-16-10-6-4-8-14(16)18(24)22-12(2)20(27)28/h3-12H,1-2H3,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wroc?aw University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 using urea as substrate assessed as transformed cell u...				J Med Chem 59: 8125-33 (2016) Article DOI: 10.1021/acs.jmedchem.6b00986
					More data for this Ligand-Target Pair