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SMILES: Cc1cc(NC(=O)CSc2ncnc3ccccc23)no1

InChI Key: InChIKey=KDDOCAGTMUZHJD-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 = 31708   
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
Heat shock 70 kDa protein 1A


(Homo sapiens (Human))
BDBM31708
PNG
(MLS000118949 | N-(5-methyl-1,2-oxazol-3-yl)-2-quin...)
Show SMILES Cc1cc(NC(=O)CSc2ncnc3ccccc23)no1
Show InChI InChI=1S/C14H12N4O2S/c1-9-6-12(18-20-9)17-13(19)7-21-14-10-4-2-3-5-11(10)15-8-16-14/h2-6,8H,7H2,1H3,(H,17,18,19)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+5n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S180TW
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM31708
PNG
(MLS000118949 | N-(5-methyl-1,2-oxazol-3-yl)-2-quin...)
Show SMILES Cc1cc(NC(=O)CSc2ncnc3ccccc23)no1
Show InChI InChI=1S/C14H12N4O2S/c1-9-6-12(18-20-9)17-13(19)7-21-14-10-4-2-3-5-11(10)15-8-16-14/h2-6,8H,7H2,1H3,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 9.99E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MS3R62
More data for this
Ligand-Target Pair
Heat shock 70 kDa protein 1A


(Homo sapiens (Human))
BDBM31708
PNG
(MLS000118949 | N-(5-methyl-1,2-oxazol-3-yl)-2-quin...)
Show SMILES Cc1cc(NC(=O)CSc2ncnc3ccccc23)no1
Show InChI InChI=1S/C14H12N4O2S/c1-9-6-12(18-20-9)17-13(19)7-21-14-10-4-2-3-5-11(10)15-8-16-14/h2-6,8H,7H2,1H3,(H,17,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2RF5SF5
More data for this
Ligand-Target Pair