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BDBM114228 1-butyl-3-[(5-ethylthiophen-3-yl)carbonylamino]thiourea::1-butyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea::1-butyl-3-[[(5-ethyl-3-thiophenyl)-oxomethyl]amino]thiourea::MLS000548106::N-butyl-2-[(5-ethyl-3-thienyl)carbonyl]hydrazinecarbothioamide::SMR000114997::cid_4129448

SMILES: CCCCNC(=S)NNC(=O)c1csc(CC)c1

InChI Key: InChIKey=SGDVKYIUXRGZPE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 114228   
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
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3


(Homo sapiens (Human))
BDBM114228
PNG
(1-butyl-3-[(5-ethylthiophen-3-yl)carbonylamino]thi...)
Show SMILES CCCCNC(=S)NNC(=O)c1csc(CC)c1
Show InChI InChI=1S/C12H19N3OS2/c1-3-5-6-13-12(17)15-14-11(16)9-7-10(4-2)18-8-9/h7-8H,3-6H2,1-2H3,(H,14,16)(H2,13,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.22E+5n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2S46QKQ
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))
BDBM114228
PNG
(1-butyl-3-[(5-ethylthiophen-3-yl)carbonylamino]thi...)
Show SMILES CCCCNC(=S)NNC(=O)c1csc(CC)c1
Show InChI InChI=1S/C12H19N3OS2/c1-3-5-6-13-12(17)15-14-11(16)9-7-10(4-2)18-8-9/h7-8H,3-6H2,1-2H3,(H,14,16)(H2,13,15,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.22E+5n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair