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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'NACHT, LRR and PYD domains-containing protein 3' and Ligand = 'BDBM76271'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM76271
PNG
(4-(4-chlorobenzyl)-N-(3-methylphenyl)-1-piperazine...)
Show SMILES Cc1cccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1
Show InChI InChI=1S/C19H22ClN3O/c1-15-3-2-4-18(13-15)21-19(24)23-11-9-22(10-12-23)14-16-5-7-17(20)8-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RN369N
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3


(Homo sapiens (Human))
BDBM76271
PNG
(4-(4-chlorobenzyl)-N-(3-methylphenyl)-1-piperazine...)
Show SMILES Cc1cccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1
Show InChI InChI=1S/C19H22ClN3O/c1-15-3-2-4-18(13-15)21-19(24)23-11-9-22(10-12-23)14-16-5-7-17(20)8-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.34E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WD3Z10
More data for this
Ligand-Target Pair