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SMILES: CCCCCCCn1c(NC(=O)CC)nc2ccccc12

InChI Key: InChIKey=XQLLJACJXNKEBS-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 2 hits for monomerid = 61212   
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
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))
BDBM61212
PNG
(MLS001042192 | N-(1-Heptyl-1H-benzoimidazol-2-yl)-...)
Show SMILES CCCCCCCn1c(NC(=O)CC)nc2ccccc12
Show InChI InChI=1S/C17H25N3O/c1-3-5-6-7-10-13-20-15-12-9-8-11-14(15)18-17(20)19-16(21)4-2/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,18,19,21)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.82E+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/Q2BP0175
More data for this
Ligand-Target Pair
SUMO-conjugating enzyme UBC9


(Homo sapiens (Human))
BDBM61212
PNG
(MLS001042192 | N-(1-Heptyl-1H-benzoimidazol-2-yl)-...)
Show SMILES CCCCCCCn1c(NC(=O)CC)nc2ccccc12
Show InChI InChI=1S/C17H25N3O/c1-3-5-6-7-10-13-20-15-12-9-8-11-14(15)18-17(20)19-16(21)4-2/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,18,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.62E+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/Q2V986G8
More data for this
Ligand-Target Pair