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BDBM28904 2-{5-[(3Z)-1-{[(3-methylphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid::rhodanine derivative, 63

SMILES: Cc1cccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CC(O)=O)C3=O)c3ccccc23)c1

InChI Key: InChIKey=XKCXKEBZTDNOFH-HNENSFHCSA-N

Data: 4 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 4 hits for monomerid = 28904   
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
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM28904
PNG
(2-{5-[(3Z)-1-{[(3-methylphenyl)carbamoyl]methyl}-2...)
Show SMILES Cc1cccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CC(O)=O)C3=O)c3ccccc23)c1
Show InChI InChI=1S/C22H17N3O5S2/c1-12-5-4-6-13(9-12)23-16(26)10-24-15-8-3-2-7-14(15)18(20(24)29)19-21(30)25(11-17(27)28)22(31)32-19/h2-9H,10-11H2,1H3,(H,23,26)(H,27,28)/b19-18-
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Article
PubMed
n/an/a 5.71E+3n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plate in which each reaction mixture contained MAPKKide, LF (List Biological Labor...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM28904
PNG
(2-{5-[(3Z)-1-{[(3-methylphenyl)carbamoyl]methyl}-2...)
Show SMILES Cc1cccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CC(O)=O)C3=O)c3ccccc23)c1
Show InChI InChI=1S/C22H17N3O5S2/c1-12-5-4-6-13(9-12)23-16(26)10-24-15-8-3-2-7-14(15)18(20(24)29)19-21(30)25(11-17(27)28)22(31)32-19/h2-9H,10-11H2,1H3,(H,23,26)(H,27,28)/b19-18-
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
This assay was performed as outlined in the Anaspec MMP assay kit. The fluorescence peptide cleavage assay was performed in a 96-well plate in which ...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM28904
PNG
(2-{5-[(3Z)-1-{[(3-methylphenyl)carbamoyl]methyl}-2...)
Show SMILES Cc1cccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CC(O)=O)C3=O)c3ccccc23)c1
Show InChI InChI=1S/C22H17N3O5S2/c1-12-5-4-6-13(9-12)23-16(26)10-24-15-8-3-2-7-14(15)18(20(24)29)19-21(30)25(11-17(27)28)22(31)32-19/h2-9H,10-11H2,1H3,(H,23,26)(H,27,28)/b19-18-
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
This assay was performed as outlined in the Anaspec MMP assay kit. The fluorescence peptide cleavage assay was performed in a 96-well plate in which ...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair
Botulinum Neurotoxin Type A


(Clostridium botulinum)
BDBM28904
PNG
(2-{5-[(3Z)-1-{[(3-methylphenyl)carbamoyl]methyl}-2...)
Show SMILES Cc1cccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CC(O)=O)C3=O)c3ccccc23)c1
Show InChI InChI=1S/C22H17N3O5S2/c1-12-5-4-6-13(9-12)23-16(26)10-24-15-8-3-2-7-14(15)18(20(24)29)19-21(30)25(11-17(27)28)22(31)32-19/h2-9H,10-11H2,1H3,(H,23,26)(H,27,28)/b19-18-
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UniChem

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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plates in which each reaction mixture contained SNAPtide, BoNT /A (List Biological...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair