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BDBM61881 MLS001158749::N-(1,1-diketothiolan-3-yl)-N-ethyl-2-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionamide::N-(1,1-dioxo-3-thiolanyl)-N-ethyl-2-[(5Z)-5-(2-furanylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanamide::N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide::N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide::SMR000651796::cid_17578782

SMILES: CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O

InChI Key: InChIKey=YMJPRKOKDBOVNU-ZROIWOOFSA-N

Data: 6 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 6 hits for monomerid = 61881   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM61881
PNG
(MLS001158749 | N-(1,1-diketothiolan-3-yl)-N-ethyl-...)
Show SMILES CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
Show InChI InChI=1S/C17H20N2O5S3/c1-3-18(12-6-8-27(22,23)10-12)15(20)11(2)19-16(21)14(26-17(19)25)9-13-5-4-7-24-13/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3/b14-9-
PDB
MMDB

NCI pathway
KEGG

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UniChem

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PCBioAssay
n/an/a>1.21E+4n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


Citation and Details
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM61881
PNG
(MLS001158749 | N-(1,1-diketothiolan-3-yl)-N-ethyl-...)
Show SMILES CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
Show InChI InChI=1S/C17H20N2O5S3/c1-3-18(12-6-8-27(22,23)10-12)15(20)11(2)19-16(21)14(26-17(19)25)9-13-5-4-7-24-13/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3/b14-9-
PDB
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NCI pathway
Reactome pathway
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n/an/a 1.09E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM61881
PNG
(MLS001158749 | N-(1,1-diketothiolan-3-yl)-N-ethyl-...)
Show SMILES CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
Show InChI InChI=1S/C17H20N2O5S3/c1-3-18(12-6-8-27(22,23)10-12)15(20)11(2)19-16(21)14(26-17(19)25)9-13-5-4-7-24-13/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3/b14-9-
PDB

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Article
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n/an/a 419n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM61881
PNG
(MLS001158749 | N-(1,1-diketothiolan-3-yl)-N-ethyl-...)
Show SMILES CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
Show InChI InChI=1S/C17H20N2O5S3/c1-3-18(12-6-8-27(22,23)10-12)15(20)11(2)19-16(21)14(26-17(19)25)9-13-5-4-7-24-13/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3/b14-9-
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n/an/a 7.78E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM61881
PNG
(MLS001158749 | N-(1,1-diketothiolan-3-yl)-N-ethyl-...)
Show SMILES CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
Show InChI InChI=1S/C17H20N2O5S3/c1-3-18(12-6-8-27(22,23)10-12)15(20)11(2)19-16(21)14(26-17(19)25)9-13-5-4-7-24-13/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3/b14-9-
KEGG

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n/an/a 1.11E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM61881
PNG
(MLS001158749 | N-(1,1-diketothiolan-3-yl)-N-ethyl-...)
Show SMILES CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
Show InChI InChI=1S/C17H20N2O5S3/c1-3-18(12-6-8-27(22,23)10-12)15(20)11(2)19-16(21)14(26-17(19)25)9-13-5-4-7-24-13/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3/b14-9-
PDB
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KEGG

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PC cid
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UniChem

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n/an/a 3.79E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


Citation and Details
More data for this
Ligand-Target Pair