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BDBM88889 MLS000409349::N-(2-cyanophenyl)-2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]acetamide::N-(2-cyanophenyl)-2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanamide::N-(2-cyanophenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide::N-(2-cyanophenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]acetamide::SMR000247657::cid_2544369

SMILES: Cc1sc2nc(CSCC(=O)Nc3ccccc3C#N)[nH]c(=O)c2c1C

InChI Key: InChIKey=DTJUQPZHTMALSZ-UHFFFAOYSA-N

Data: 2 IC50

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 = 88889   
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
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM88889
PNG
(MLS000409349 | N-(2-cyanophenyl)-2-[(4-keto-5,6-di...)
Show SMILES Cc1sc2nc(CSCC(=O)Nc3ccccc3C#N)[nH]c(=O)c2c1C
Show InChI InChI=1S/C18H16N4O2S2/c1-10-11(2)26-18-16(10)17(24)21-14(22-18)8-25-9-15(23)20-13-6-4-3-5-12(13)7-19/h3-6H,8-9H2,1-2H3,(H,20,23)(H,21,22,24)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

n/an/a 6.20E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88889
PNG
(MLS000409349 | N-(2-cyanophenyl)-2-[(4-keto-5,6-di...)
Show SMILES Cc1sc2nc(CSCC(=O)Nc3ccccc3C#N)[nH]c(=O)c2c1C
Show InChI InChI=1S/C18H16N4O2S2/c1-10-11(2)26-18-16(10)17(24)21-14(22-18)8-25-9-15(23)20-13-6-4-3-5-12(13)7-19/h3-6H,8-9H2,1-2H3,(H,20,23)(H,21,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 8.26E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair