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SMILES: CC(C)C(=O)N(C)C(c1c[nH]c2ccccc12)c1ccccc1

InChI Key: InChIKey=FNNOWYKYJIUIGI-UHFFFAOYSA-N

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 3 hits for monomerid = 67415   
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 protein 1


(Homo sapiens (Human))
BDBM67415
PNG
(MLS-0435776.0001 | N-[1H-indol-3-yl(phenyl)methyl]...)
Show SMILES CC(C)C(=O)N(C)C(c1c[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H22N2O/c1-14(2)20(23)22(3)19(15-9-5-4-6-10-15)17-13-21-18-12-8-7-11-16(17)18/h4-14,19,21H,1-3H3
PDB
MMDB

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PCBioAssay
n/an/a>2.00E+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/Q23J3BDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM67415
PNG
(MLS-0435776.0001 | N-[1H-indol-3-yl(phenyl)methyl]...)
Show SMILES CC(C)C(=O)N(C)C(c1c[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H22N2O/c1-14(2)20(23)22(3)19(15-9-5-4-6-10-15)17-13-21-18-12-8-7-11-16(17)18/h4-14,19,21H,1-3H3
PDB
MMDB

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n/an/a>2.00E+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/Q2V1237V
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM67415
PNG
(MLS-0435776.0001 | N-[1H-indol-3-yl(phenyl)methyl]...)
Show SMILES CC(C)C(=O)N(C)C(c1c[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H22N2O/c1-14(2)20(23)22(3)19(15-9-5-4-6-10-15)17-13-21-18-12-8-7-11-16(17)18/h4-14,19,21H,1-3H3
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>2.00E+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/Q2ZS2TX1
More data for this
Ligand-Target Pair