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BDBM50179379 CHEMBL3814894

SMILES: CC1CCN(CC1)c1cc(N2CCC(C)CC2)c(cc1\C=c1\sc2nc3ccccc3n2c1=O)[N+]([O-])=O

InChI Key: InChIKey=ULQUYWVWBYTTFP-WGOQTCKBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50179379   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179379
PNG
(CHEMBL3814894)
Show SMILES CC1CCN(CC1)c1cc(N2CCC(C)CC2)c(cc1\C=c1\sc2nc3ccccc3n2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C28H31N5O3S/c1-18-7-11-30(12-8-18)23-17-24(31-13-9-19(2)10-14-31)25(33(35)36)15-20(23)16-26-27(34)32-22-6-4-3-5-21(22)29-28(32)37-26/h3-6,15-19H,7-14H2,1-2H3/b26-16+
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PC cid
PC sid
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Similars

Article
PubMed
8.56E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair