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BDBM246417 US9447057, 1

SMILES: C1C=Cc2ccc3cc(\C=N\c4nc(cs4)-c4ccccc4)cc4CC=C1c2c34

InChI Key: InChIKey=AUAAIEKOZNLXMM-JFLMPSFJSA-N

Data: 1 KI  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 = 246417   
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))
BDBM246417
PNG
(US9447057, 1)
Show SMILES C1C=Cc2ccc3cc(\C=N\c4nc(cs4)-c4ccccc4)cc4CC=C1c2c34 |c:1,t:27|
Show InChI InChI=1S/C26H18N2S/c1-2-5-18(6-3-1)23-16-29-26(28-23)27-15-17-13-21-11-9-19-7-4-8-20-10-12-22(14-17)25(21)24(19)20/h1-7,9-11,13-16H,8,12H2/b27-15+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.82E+3n/a 2.80E+3n/an/an/an/a6.8n/a



TBA

US Patent


Assay Description
Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...


US Patent US9447057 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9Q2T
More data for this
Ligand-Target Pair