BindingDB logo
myBDB logout

BDBM49187 4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide::MLS000027847::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-5-thieno[3,2-b]pyrrolecarboxamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide::SMR000007362::cid_654316

SMILES: Cn1c(cc2sccc12)C(=O)Nc1ccc2OCCOc2c1

InChI Key: InChIKey=GALZBNGVPMGKTI-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 49187   
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
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM49187
PNG
(4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid...)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C16H14N2O3S/c1-18-11-4-7-22-15(11)9-12(18)16(19)17-10-2-3-13-14(8-10)21-6-5-20-13/h2-4,7-9H,5-6H2,1H3,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.59E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2959G1S
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49187
PNG
(4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid...)
Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C16H14N2O3S/c1-18-11-4-7-22-15(11)9-12(18)16(19)17-10-2-3-13-14(8-10)21-6-5-20-13/h2-4,7-9H,5-6H2,1H3,(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.17E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair