BDBM50030453 CHEMBL3344294

SMILES: COc1ccc(NC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)cc1

InChI Key: InChIKey=JKJHPZBCELSTNU-BMQPFVSWSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50030453   

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))	BDBM50030453 (CHEMBL3344294) Show SMILES COc1ccc(NC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)c2nsc3ccccc23)cc1 |r| Show InChI InChI=1S/C42H51N9O7S/c1-27(2)37(41(56)51-19-9-13-33(51)40(55)50-22-20-49(21-23-50)38-31-12-7-8-14-34(31)59-48-38)47-36(53)25-43-39(54)32(24-28-10-5-4-6-11-28)46-35(52)26-44-42(57)45-29-15-17-30(58-3)18-16-29/h4-8,10-12,14-18,27,32-33,37H,9,13,19-26H2,1-3H3,(H,43,54)(H,46,52)(H,47,53)(H2,44,45,57)/t32-,33-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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
					More data for this Ligand-Target Pair