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BDBM71254 (E)-4-[[2-carbomethoxy-5-(4-chlorophenyl)-3-thienyl]amino]-4-keto-but-2-enoic acid::(E)-4-[[5-(4-chlorophenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-4-oxo-2-butenoic acid::(E)-4-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]amino]-4-oxidanylidene-but-2-enoic acid::(E)-4-[[5-(4-chlorophenyl)-2-methoxycarbonylthiophen-3-yl]amino]-4-oxobut-2-enoic acid::4-{[5-(4-chlorophenyl)-2-(methoxycarbonyl)-3-thienyl]amino}-4-oxo-2-butenoic acid::MLS000850424::SMR000456442::cid_5714708

SMILES: COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=TXGSTHFVVXXQSX-VOTSOKGWSA-N

Data: 1 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 1 hit for monomerid = 71254   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA recombination protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM71254
PNG
((E)-4-[[2-carbomethoxy-5-(4-chlorophenyl)-3-thieny...)
Show SMILES COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNO5S/c1-23-16(22)15-11(18-13(19)6-7-14(20)21)8-12(24-15)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,18,19)(H,20,21)/b7-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.18E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26H4FW6
More data for this
Ligand-Target Pair