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BDBM88845 MLS000558818::N-(1,3-benzothiazol-2-yl)-2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide::N-(1,3-benzothiazol-2-yl)-2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]ethanamide::N-(1,3-benzothiazol-2-yl)-2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)thio]acetamide::N-Benzothiazol-2-yl-2-(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)-acetamide::SMR000173585::cid_3227435

SMILES: CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3nc4ccccc4s3)n12

InChI Key: InChIKey=JSFJGQDDHVRIDM-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 = 88845   
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))
BDBM88845
PNG
(MLS000558818 | N-(1,3-benzothiazol-2-yl)-2-[(5-ter...)
Show SMILES CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3nc4ccccc4s3)n12
Show InChI InChI=1S/C22H20N6OS2/c1-22(2,3)19-23-14-9-5-4-8-13(14)18-26-27-21(28(18)19)30-12-17(29)25-20-24-15-10-6-7-11-16(15)31-20/h4-11H,12H2,1-3H3,(H,24,25,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 3.79E+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))
BDBM88845
PNG
(MLS000558818 | N-(1,3-benzothiazol-2-yl)-2-[(5-ter...)
Show SMILES CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3nc4ccccc4s3)n12
Show InChI InChI=1S/C22H20N6OS2/c1-22(2,3)19-23-14-9-5-4-8-13(14)18-26-27-21(28(18)19)30-12-17(29)25-20-24-15-10-6-7-11-16(15)31-20/h4-11H,12H2,1-3H3,(H,24,25,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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