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BDBM75694 2-fluoranyl-N-[4-methylsulfanyl-1-[2-[(2-morpholin-4-yl-1,3-thiazol-4-yl)carbonyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide::2-fluoro-N-[3-(methylthio)-1-[[(2-morpholinothiazole-4-carbonyl)amino]carbamoyl]propyl]benzenesulfonamide::2-fluoro-N-[4-(methylthio)-1-[[[2-(4-morpholinyl)-4-thiazolyl]-oxomethyl]hydrazo]-1-oxobutan-2-yl]benzenesulfonamide::2-fluoro-N-[4-methylsulfanyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide::MLS001138490::SMR000710210::cid_24687882

SMILES: CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1csc(n1)N1CCOCC1

InChI Key: InChIKey=BTVTYTFKDAIDDQ-UHFFFAOYSA-N

Data: 1 IC50  4 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 5 hits for monomerid = 75694   
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
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75694
PNG
(2-fluoranyl-N-[4-methylsulfanyl-1-[2-[(2-morpholin...)
Show SMILES CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C19H24FN5O5S3/c1-31-11-6-14(24-33(28,29)16-5-3-2-4-13(16)20)17(26)22-23-18(27)15-12-32-19(21-15)25-7-9-30-10-8-25/h2-5,12,14,24H,6-11H2,1H3,(H,22,26)(H,23,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

Similars

n/an/an/an/a 8.88E+3n/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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75694
PNG
(2-fluoranyl-N-[4-methylsulfanyl-1-[2-[(2-morpholin...)
Show SMILES CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C19H24FN5O5S3/c1-31-11-6-14(24-33(28,29)16-5-3-2-4-13(16)20)17(26)22-23-18(27)15-12-32-19(21-15)25-7-9-30-10-8-25/h2-5,12,14,24H,6-11H2,1H3,(H,22,26)(H,23,27)
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KEGG

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n/an/an/an/a 1.06E+4n/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)


BindingDB Entry DOI: 10.7270/Q2CF9NKD
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM75694
PNG
(2-fluoranyl-N-[4-methylsulfanyl-1-[2-[(2-morpholin...)
Show SMILES CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C19H24FN5O5S3/c1-31-11-6-14(24-33(28,29)16-5-3-2-4-13(16)20)17(26)22-23-18(27)15-12-32-19(21-15)25-7-9-30-10-8-25/h2-5,12,14,24H,6-11H2,1H3,(H,22,26)(H,23,27)
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KEGG

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n/an/an/an/a 1.25E+4n/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)


BindingDB Entry DOI: 10.7270/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM75694
PNG
(2-fluoranyl-N-[4-methylsulfanyl-1-[2-[(2-morpholin...)
Show SMILES CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C19H24FN5O5S3/c1-31-11-6-14(24-33(28,29)16-5-3-2-4-13(16)20)17(26)22-23-18(27)15-12-32-19(21-15)25-7-9-30-10-8-25/h2-5,12,14,24H,6-11H2,1H3,(H,22,26)(H,23,27)
KEGG

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n/an/an/an/a 2.64E+4n/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)


BindingDB Entry DOI: 10.7270/Q24Q7SF3
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75694
PNG
(2-fluoranyl-N-[4-methylsulfanyl-1-[2-[(2-morpholin...)
Show SMILES CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C19H24FN5O5S3/c1-31-11-6-14(24-33(28,29)16-5-3-2-4-13(16)20)17(26)22-23-18(27)15-12-32-19(21-15)25-7-9-30-10-8-25/h2-5,12,14,24H,6-11H2,1H3,(H,22,26)(H,23,27)
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n/an/a 7.01E+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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair