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BDBM50452585 CHEMBL4218470

SMILES: Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(C)c1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(C)c1

InChI Key: InChIKey=LZINONGUZHPZQD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50452585   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50452585
PNG
(CHEMBL4218470)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(C)c1)c1c[nH]c2ccc(cc12)C(=O)NNC(=S)Nc1cccc(C)c1
Show InChI InChI=1S/C42H38N8O2S2/c1-24-10-12-27(13-11-24)38(34-22-43-36-16-14-28(20-32(34)36)39(51)47-49-41(53)45-30-8-4-6-25(2)18-30)35-23-44-37-17-15-29(21-33(35)37)40(52)48-50-42(54)46-31-9-5-7-26(3)19-31/h4-23,38,43-44H,1-3H3,(H,47,51)(H,48,52)(H2,45,49,53)(H2,46,50,54)
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Imam Abdulrahman Bin Faisal University

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method

Bioorg Med Chem 26: 152-160 (2018)


Article DOI: 10.1016/j.bmc.2017.11.028
BindingDB Entry DOI: 10.7270/Q22N54VJ
More data for this
Ligand-Target Pair