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BDBM42639 5-bromo-6-keto-1-thiazol-2-yl-nicotinic acid methyl ester::5-bromo-6-oxo-1-(2-thiazolyl)-3-pyridinecarboxylic acid methyl ester::MLS000036872::SMR000037782::cid_662069::methyl 5-bromanyl-6-oxidanylidene-1-(1,3-thiazol-2-yl)pyridine-3-carboxylate::methyl 5-bromo-6-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carboxylate

SMILES: COC(=O)c1cc(Br)c(=O)n(c1)-c1nccs1

InChI Key: InChIKey=UFCDIXRCVJLNQM-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 = 42639   
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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42639
PNG
(5-bromo-6-keto-1-thiazol-2-yl-nicotinic acid methy...)
Show SMILES COC(=O)c1cc(Br)c(=O)n(c1)-c1nccs1
Show InChI InChI=1S/C10H7BrN2O3S/c1-16-9(15)6-4-7(11)8(14)13(5-6)10-12-2-3-17-10/h2-5H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.68E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair
nuclear receptor corepressor 2 isoform 2


(Homo sapiens (Human))
BDBM42639
PNG
(5-bromo-6-keto-1-thiazol-2-yl-nicotinic acid methy...)
Show SMILES COC(=O)c1cc(Br)c(=O)n(c1)-c1nccs1
Show InChI InChI=1S/C10H7BrN2O3S/c1-16-9(15)6-4-7(11)8(14)13(5-6)10-12-2-3-17-10/h2-5H,1H3
PDB
MMDB

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.29E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28914BQ
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM42639
PNG
(5-bromo-6-keto-1-thiazol-2-yl-nicotinic acid methy...)
Show SMILES COC(=O)c1cc(Br)c(=O)n(c1)-c1nccs1
Show InChI InChI=1S/C10H7BrN2O3S/c1-16-9(15)6-4-7(11)8(14)13(5-6)10-12-2-3-17-10/h2-5H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair