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SMILES: CCc1nnc(NCC(=O)N2CCc3ccccc23)s1

InChI Key: InChIKey=KPKCNWCXCFFDLY-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 = 54965   
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
Core protein


(Hepatitis C virus)
BDBM54965
PNG
(1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadi...)
Show SMILES CCc1nnc(NCC(=O)N2CCc3ccccc23)s1
Show InChI InChI=1S/C14H16N4OS/c1-2-12-16-17-14(20-12)15-9-13(19)18-8-7-10-5-3-4-6-11(10)18/h3-6H,2,7-9H2,1H3,(H,15,17)
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
Neutrophil cytosol factor 1 [S99G]


(Homo sapiens (Human))
BDBM54965
PNG
(1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadi...)
Show SMILES CCc1nnc(NCC(=O)N2CCc3ccccc23)s1
Show InChI InChI=1S/C14H16N4OS/c1-2-12-16-17-14(20-12)15-9-13(19)18-8-7-10-5-3-4-6-11(10)18/h3-6H,2,7-9H2,1H3,(H,15,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair