BDBM50534772 CHEMBL4563580

SMILES: [#6]-[#6]-[#6](-[#6])-[#6@@H](-[#6](=O)-[#8]-[#6])-n1[se;v2]c2ccccc2c1=O

InChI Key: InChIKey=ARANKFFUJKYGSG-ACGXKRRESA-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 = 50534772   

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) (...)	BDBM50534772 (CHEMBL4563580) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H](-[#6](=O)-[#8]-[#6])-n1[se;v2]c2ccccc2c1=O |r| Show InChI InChI=1S/C14H17NO3Se/c1-4-9(2)12(14(17)18-3)15-13(16)10-7-5-6-8-11(10)19-15/h5-9,12H,4H2,1-3H3/t9?,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60E+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) (...)	BDBM50534772 (CHEMBL4563580) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H](-[#6](=O)-[#8]-[#6])-n1[se;v2]c2ccccc2c1=O |r| Show InChI InChI=1S/C14H17NO3Se/c1-4-9(2)12(14(17)18-3)15-13(16)10-7-5-6-8-11(10)19-15/h5-9,12H,4H2,1-3H3/t9?,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.58E+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) (...)	BDBM50534772 (CHEMBL4563580) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H](-[#6](=O)-[#8]-[#6])-n1[se;v2]c2ccccc2c1=O |r| Show InChI InChI=1S/C14H17NO3Se/c1-4-9(2)12(14(17)18-3)15-13(16)10-7-5-6-8-11(10)19-15/h5-9,12H,4H2,1-3H3/t9?,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.07E+3	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