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BDBM83086 MLS001156641::N-[2-(2,3-dimethylanilino)-2-keto-ethyl]-3-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propionamide::N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanamide::N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanamide::SMR000715822::cid_24980803

SMILES: Cc1cccc(NC(=O)CNC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)c1C

InChI Key: InChIKey=VCLWTTYTYNHNFW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 83086   
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
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens)
BDBM83086
PNG
(MLS001156641 | N-[2-(2,3-dimethylanilino)-2-keto-e...)
Show SMILES Cc1cccc(NC(=O)CNC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)c1C
Show InChI InChI=1S/C23H26N4O3S/c1-13-6-5-8-16(14(13)2)25-20(29)12-24-19(28)11-10-18-26-22(30)21-15-7-3-4-9-17(15)31-23(21)27-18/h5-6,8H,3-4,7,9-12H2,1-2H3,(H,24,28)(H,25,29)(H,26,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

n/an/a 2.66E+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, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM83086
PNG
(MLS001156641 | N-[2-(2,3-dimethylanilino)-2-keto-e...)
Show SMILES Cc1cccc(NC(=O)CNC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)c1C
Show InChI InChI=1S/C23H26N4O3S/c1-13-6-5-8-16(14(13)2)25-20(29)12-24-19(28)11-10-18-26-22(30)21-15-7-3-4-9-17(15)31-23(21)27-18/h5-6,8H,3-4,7,9-12H2,1-2H3,(H,24,28)(H,25,29)(H,26,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

n/an/a 7.12E+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))
BDBM83086
PNG
(MLS001156641 | N-[2-(2,3-dimethylanilino)-2-keto-e...)
Show SMILES Cc1cccc(NC(=O)CNC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)c1C
Show InChI InChI=1S/C23H26N4O3S/c1-13-6-5-8-16(14(13)2)25-20(29)12-24-19(28)11-10-18-26-22(30)21-15-7-3-4-9-17(15)31-23(21)27-18/h5-6,8H,3-4,7,9-12H2,1-2H3,(H,24,28)(H,25,29)(H,26,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

n/an/a 4.39E+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