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SMILES: Cc1nnc(Sc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc2ccccc2Cl)s1

InChI Key: InChIKey=SMDITLRYNUIBJO-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 = 71627   
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
Importin subunit alpha-1


(Homo sapiens (Human))
BDBM71627
PNG
(7-(2-Chloro-benzyl)-1,3-dimethyl-8-(5-methyl-[1,3,...)
Show SMILES Cc1nnc(Sc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc2ccccc2Cl)s1
Show InChI InChI=1S/C17H15ClN6O2S2/c1-9-20-21-16(27-9)28-15-19-13-12(14(25)23(3)17(26)22(13)2)24(15)8-10-6-4-5-7-11(10)18/h4-7H,8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM71627
PNG
(7-(2-Chloro-benzyl)-1,3-dimethyl-8-(5-methyl-[1,3,...)
Show SMILES Cc1nnc(Sc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc2ccccc2Cl)s1
Show InChI InChI=1S/C17H15ClN6O2S2/c1-9-20-21-16(27-9)28-15-19-13-12(14(25)23(3)17(26)22(13)2)24(15)8-10-6-4-5-7-11(10)18/h4-7H,8H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair