BindingDB logo
myBDB logout

BDBM54798 (5Z)-2-azanylidene-5-[(2-methyl-1H-indol-3-yl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one::(5Z)-2-imino-5-[(2-methyl-1H-indol-3-yl)methylene]-3-thiazol-2-yl-thiazolidin-4-one::(5Z)-2-imino-5-[(2-methyl-1H-indol-3-yl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one::(5Z)-2-imino-5-[(2-methyl-1H-indol-3-yl)methylidene]-3-(2-thiazolyl)-4-thiazolidinone::MLS000519510::SMR000129929::cid_5291664

SMILES: Cc1[nH]c2ccccc2c1\C=C1/SC(=N)N(C1=O)c1nccs1

InChI Key: InChIKey=RXQBEHGNWZBHIF-BPBFFJPSSA-N

Data: 5 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 5 hits for monomerid = 54798   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54798
PNG
((5Z)-2-azanylidene-5-[(2-methyl-1H-indol-3-yl)meth...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C1/SC(=N)N(C1=O)c1nccs1
Show InChI InChI=1S/C16H12N4OS2/c1-9-11(10-4-2-3-5-12(10)19-9)8-13-14(21)20(15(17)23-13)16-18-6-7-22-16/h2-8,17,19H,1H3/b13-8-,17-15?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.81E+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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54798
PNG
((5Z)-2-azanylidene-5-[(2-methyl-1H-indol-3-yl)meth...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C1/SC(=N)N(C1=O)c1nccs1
Show InChI InChI=1S/C16H12N4OS2/c1-9-11(10-4-2-3-5-12(10)19-9)8-13-14(21)20(15(17)23-13)16-18-6-7-22-16/h2-8,17,19H,1H3/b13-8-,17-15?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.76E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM54798
PNG
((5Z)-2-azanylidene-5-[(2-methyl-1H-indol-3-yl)meth...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C1/SC(=N)N(C1=O)c1nccs1
Show InChI InChI=1S/C16H12N4OS2/c1-9-11(10-4-2-3-5-12(10)19-9)8-13-14(21)20(15(17)23-13)16-18-6-7-22-16/h2-8,17,19H,1H3/b13-8-,17-15?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 1.48E+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, C...


PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12319
BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM54798
PNG
((5Z)-2-azanylidene-5-[(2-methyl-1H-indol-3-yl)meth...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C1/SC(=N)N(C1=O)c1nccs1
Show InChI InChI=1S/C16H12N4OS2/c1-9-11(10-4-2-3-5-12(10)19-9)8-13-14(21)20(15(17)23-13)16-18-6-7-22-16/h2-8,17,19H,1H3/b13-8-,17-15?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM54798
PNG
((5Z)-2-azanylidene-5-[(2-methyl-1H-indol-3-yl)meth...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C1/SC(=N)N(C1=O)c1nccs1
Show InChI InChI=1S/C16H12N4OS2/c1-9-11(10-4-2-3-5-12(10)19-9)8-13-14(21)20(15(17)23-13)16-18-6-7-22-16/h2-8,17,19H,1H3/b13-8-,17-15?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 2.34E+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)


Article DOI: 10.1016/j.bioorg.2014.05.010
BindingDB Entry DOI: 10.7270/Q2DB808D
More data for this
Ligand-Target Pair