BDBM50030428 CHEMBL3344288

SMILES: CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12

InChI Key: InChIKey=XJRXAGJLORNWLN-QOVAEWSBSA-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 = 50030428   

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))	BDBM50030428 (CHEMBL3344288) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2ccccc12 |r| Show InChI InChI=1S/C41H48FN9O6S/c1-26(2)36(40(56)51-18-8-12-32(51)39(55)50-21-19-49(20-22-50)37-30-11-6-7-13-33(30)58-48-37)47-35(53)24-43-38(54)31(23-27-9-4-3-5-10-27)46-34(52)25-44-41(57)45-29-16-14-28(42)15-17-29/h3-7,9-11,13-17,26,31-32,36H,8,12,18-25H2,1-2H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,57)/t31-,32-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method				Eur J Med Chem 87: 657-61 (2014) Article DOI: 10.1016/j.ejmech.2014.09.098 BindingDB Entry DOI: 10.7270/Q21N82QR
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