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BDBM70303 2-[(3-cyclohexyl-4-keto-7-methyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl)thio]acetic acid methyl ester::2-[(3-cyclohexyl-7-methyl-4-oxo-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl)thio]acetic acid methyl ester::MLS000071342::SMR000039100::cid_658098::methyl 2-[(3-cyclohexyl-7-methyl-4-oxidanylidene-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]ethanoate::methyl 2-[(3-cyclohexyl-7-methyl-4-oxo-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]acetate

SMILES: COC(=O)CSc1nc2sc3CN(C)CCc3c2c(=O)n1C1CCCCC1

InChI Key: InChIKey=CFDVFPSGKPFPOY-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 = 70303   
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)
BDBM70303
PNG
(2-[(3-cyclohexyl-4-keto-7-methyl-6,8-dihydro-5H-py...)
Show SMILES COC(=O)CSc1nc2sc3CN(C)CCc3c2c(=O)n1C1CCCCC1
Show InChI InChI=1S/C19H25N3O3S2/c1-21-9-8-13-14(10-21)27-17-16(13)18(24)22(12-6-4-3-5-7-12)19(20-17)26-11-15(23)25-2/h12H,3-11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.14E+4n/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)
BDBM70303
PNG
(2-[(3-cyclohexyl-4-keto-7-methyl-6,8-dihydro-5H-py...)
Show SMILES COC(=O)CSc1nc2sc3CN(C)CCc3c2c(=O)n1C1CCCCC1
Show InChI InChI=1S/C19H25N3O3S2/c1-21-9-8-13-14(10-21)27-17-16(13)18(24)22(12-6-4-3-5-7-12)19(20-17)26-11-15(23)25-2/h12H,3-11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.80E+5n/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