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BDBM45174 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester::2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester::MLS000409049::SMR000264090::cid_4271185::ethyl 2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-5-phenylthiophene-3-carboxylate::ethyl 2-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-5-phenyl-thiophene-3-carboxylate

SMILES: CCOC(=O)c1cc(sc1NC(=O)C(C)Sc1nnc(N)s1)-c1ccccc1

InChI Key: InChIKey=PKXIAJTXTNKASF-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45174   
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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM45174
PNG
(2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]propanoy...)
Show SMILES CCOC(=O)c1cc(sc1NC(=O)C(C)Sc1nnc(N)s1)-c1ccccc1
Show InChI InChI=1S/C18H18N4O3S3/c1-3-25-16(24)12-9-13(11-7-5-4-6-8-11)27-15(12)20-14(23)10(2)26-18-22-21-17(19)28-18/h4-10H,3H2,1-2H3,(H2,19,21)(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.92E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair