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BDBM88836 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide::2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-(2-methoxyphenyl)ethanamide::2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide::2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-(2-methoxyphenyl)acetamide::2-[(6-amino-3,5-dicyano-2-pyridyl)thio]-N-(2-methoxyphenyl)acetamide::MLS000548125::SMR000114374::cid_3116123

SMILES: COc1ccccc1NC(=O)CSc1nc(N)c(cc1C#N)C#N

InChI Key: InChIKey=ONQBWENTOXHISF-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 = 88836   
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))
BDBM88836
PNG
(2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-(2-m...)
Show SMILES COc1ccccc1NC(=O)CSc1nc(N)c(cc1C#N)C#N
Show InChI InChI=1S/C16H13N5O2S/c1-23-13-5-3-2-4-12(13)20-14(22)9-24-16-11(8-18)6-10(7-17)15(19)21-16/h2-6H,9H2,1H3,(H2,19,21)(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.62E+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, La Jolla, CA...


PubChem Bioassay (2012)


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


(Bos taurus (Bovine))
BDBM88836
PNG
(2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-(2-m...)
Show SMILES COc1ccccc1NC(=O)CSc1nc(N)c(cc1C#N)C#N
Show InChI InChI=1S/C16H13N5O2S/c1-23-13-5-3-2-4-12(13)20-14(22)9-24-16-11(8-18)6-10(7-17)15(19)21-16/h2-6H,9H2,1H3,(H2,19,21)(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.58E+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, La Jolla, CA...


PubChem Bioassay (2012)


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