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BDBM79119 4-[2-[(3-carbamoyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-1,2-dioxoethyl]-1-piperazinecarboxylic acid ethyl ester::4-[2-[(3-carbamoyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-2-keto-acetyl]piperazine-1-carboxylic acid ethyl ester::MLS001158324::SMR000652148::cid_17584130::ethyl 4-[2-[(3-aminocarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-2-oxidanylidene-ethanoyl]piperazine-1-carboxylate::ethyl 4-[2-[(3-carbamoyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-2-oxoacetyl]piperazine-1-carboxylate

SMILES: CCOC(=O)N1CCN(CC1)C(=O)C(=O)Nc1sc2COC(C)(C)Cc2c1C(N)=O

InChI Key: InChIKey=XVJUISIJTWSDTB-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79119   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79119
PNG
(4-[2-[(3-carbamoyl-5,5-dimethyl-4,7-dihydrothieno[...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C(=O)Nc1sc2COC(C)(C)Cc2c1C(N)=O
Show InChI InChI=1S/C19H26N4O6S/c1-4-28-18(27)23-7-5-22(6-8-23)17(26)15(25)21-16-13(14(20)24)11-9-19(2,3)29-10-12(11)30-16/h4-10H2,1-3H3,(H2,20,24)(H,21,25)
PDB
MMDB

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Similars

PCBioAssay
n/an/a>2.00E+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/Q2X34VX0
More data for this
Ligand-Target Pair