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BDBM175356 Ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (11)

SMILES: CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1

InChI Key: InChIKey=LOBCDGHHHHGHFA-UHFFFAOYSA-N

Data: 1 KI  1 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 175356   
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))
BDBM175356
PNG
(Ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,...)
Show SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1
Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)
PDB
MMDB

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PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2.57E+4n/a 3.47E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
Reaction mixture consisting of 25 ÁL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 ÁL of 100 mM urea dissolved in phosphate buffer (4 ...


Bioorg Chem 64: 85-96 (2016)

More data for this
Ligand-Target Pair