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SMILES: CN1C(=S)N\C(C1=O)=C1/C(=O)Nc2ccccc12

InChI Key: InChIKey=KRNUBJBFBZWLCQ-HJWRWDBZSA-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 = 47581   
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
Glutathione S-transferase Mu 1


(Homo sapiens (Human))
BDBM47581
PNG
((3Z)-3-(1-methyl-5-oxidanylidene-2-sulfanylidene-i...)
Show SMILES CN1C(=S)N\C(C1=O)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C12H9N3O2S/c1-15-11(17)9(14-12(15)18)8-6-4-2-3-5-7(6)13-10(8)16/h2-5H,1H3,(H,13,16)(H,14,18)/b9-8-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.34E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6


(Homo sapiens (Human))
BDBM47581
PNG
((3Z)-3-(1-methyl-5-oxidanylidene-2-sulfanylidene-i...)
Show SMILES CN1C(=S)N\C(C1=O)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C12H9N3O2S/c1-15-11(17)9(14-12(15)18)8-6-4-2-3-5-7(6)13-10(8)16/h2-5H,1H3,(H,13,16)(H,14,18)/b9-8-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.91E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM47581
PNG
((3Z)-3-(1-methyl-5-oxidanylidene-2-sulfanylidene-i...)
Show SMILES CN1C(=S)N\C(C1=O)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C12H9N3O2S/c1-15-11(17)9(14-12(15)18)8-6-4-2-3-5-7(6)13-10(8)16/h2-5H,1H3,(H,13,16)(H,14,18)/b9-8-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.66E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair