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BDBM70246 2-Cyano-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-propionic acid ethyl ester::2-cyano-3-(3-keto-5-methyl-3-pyrazolin-4-yl)-3-(3-pyridyl)propionic acid ethyl ester::2-cyano-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-(3-pyridinyl)propanoic acid ethyl ester::MLS000034331::SMR000014518::cid_645454::ethyl 2-cyano-3-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-3-pyridin-3-yl-propanoate::ethyl 2-cyano-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate

SMILES: CCOC(=O)C(C#N)C(c1c(C)[nH][nH]c1=O)c1cccnc1

InChI Key: InChIKey=MTPQAVMHQCWLTM-UHFFFAOYSA-N

Data: 2 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 = 70246   
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
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70246
PNG
(2-Cyano-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-p...)
Show SMILES CCOC(=O)C(C#N)C(c1c(C)[nH][nH]c1=O)c1cccnc1
Show InChI InChI=1S/C15H14N4O3/c1-3-22-15(21)11(7-16)13(10-5-4-6-17-8-10)12-9(2)18-19-14(12)20/h4-6,8,11,13H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.81E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM70246
PNG
(2-Cyano-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-p...)
Show SMILES CCOC(=O)C(C#N)C(c1c(C)[nH][nH]c1=O)c1cccnc1
Show InChI InChI=1S/C15H14N4O3/c1-3-22-15(21)11(7-16)13(10-5-4-6-17-8-10)12-9(2)18-19-14(12)20/h4-6,8,11,13H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.15E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair