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BDBM50339303 2-((R)-4-Carboxy-4-dodecanamidobutanamido)-6-guanidinoheptanedioic Acid::CHEMBL1689702

SMILES: [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6](\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6](-[#8])=O

InChI Key: InChIKey=KNNHNZDBRYKYIB-CTWPCTMYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50339303   
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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM50339303
PNG
(2-((R)-4-Carboxy-4-dodecanamidobutanamido)-6-guani...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6](\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C25H45N5O8/c1-2-3-4-5-6-7-8-9-10-14-20(31)29-19(24(37)38)15-16-21(32)28-17(22(33)34)12-11-13-18(23(35)36)30-25(26)27/h17-19H,2-16H2,1H3,(H,28,32)(H,29,31)(H,33,34)(H,35,36)(H,37,38)(H4,26,27,30)/t17?,18?,19-/m1/s1
PDB
MMDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.622n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis


J Med Chem 54: 1490-510 (2011)


Article DOI: 10.1021/jm101535e
BindingDB Entry DOI: 10.7270/Q2PV6KPQ
More data for this
Ligand-Target Pair