BDBM123717 2-(4-Methylphenyl)amino-5-(1-(4-chlorophenoxy)ethyl)-1,3,4-oxadiazole (3a)

SMILES: CC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(C)cc2)o1

InChI Key: InChIKey=GWGCZWYTTHJCJI-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 = 123717   

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))	BDBM123717 (2-(4-Methylphenyl)amino-5-(1-(4-chlorophenoxy)ethy...) Show SMILES CC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(C)cc2)o1 Show InChI InChI=1S/C17H16ClN3O2/c1-11-3-7-14(8-4-11)19-17-21-20-16(23-17)12(2)22-15-9-5-13(18)6-10-15/h3-10,12H,1-2H3,(H,19,21)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.62E+4	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
					More data for this Ligand-Target Pair