BindingDB logo
myBDB logout

BDBM64812 MLS-0352560.0001::N-(4-hydroxyphenyl)-4-[(5E)-4-keto-5-(2-thenylidene)-2-thioxo-thiazolidin-3-yl]butyramide::N-(4-hydroxyphenyl)-4-[(5E)-4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide::N-(4-hydroxyphenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide::N-(4-hydroxyphenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-thiazolidinyl]butanamide::cid_1923746

SMILES: Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3cccs3)C2=O)cc1

InChI Key: InChIKey=PWJJIPLEGRVLQL-RVDMUPIBSA-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 = 64812   
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
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))
BDBM64812
PNG
(MLS-0352560.0001 | N-(4-hydroxyphenyl)-4-[(5E)-4-k...)
Show SMILES Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3cccs3)C2=O)cc1
Show InChI InChI=1S/C18H16N2O3S3/c21-13-7-5-12(6-8-13)19-16(22)4-1-9-20-17(23)15(26-18(20)24)11-14-3-2-10-25-14/h2-3,5-8,10-11,21H,1,4,9H2,(H,19,22)/b15-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.10E+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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F47MKR
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM64812
PNG
(MLS-0352560.0001 | N-(4-hydroxyphenyl)-4-[(5E)-4-k...)
Show SMILES Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3cccs3)C2=O)cc1
Show InChI InChI=1S/C18H16N2O3S3/c21-13-7-5-12(6-8-13)19-16(22)4-1-9-20-17(23)15(26-18(20)24)11-14-3-2-10-25-14/h2-3,5-8,10-11,21H,1,4,9H2,(H,19,22)/b15-11+
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.95E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair