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BDBM50104715 (S)-2-(phenylsulfonamido)-N-(5-(4-(trifluoromethyl)phenyl)-6H-1,3,4-thiadiazin-2-yl)propanamide::2-Benzenesulfonylamino-N-[5-(4-trifluoromethyl-phenyl)-6H-[1,3,4]thiadiazin-2-yl]-propionamide::CHEMBL109770

SMILES: C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=MYFWCGILTGDUAM-LBPRGKRZSA-N

Data: 8 KI

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 8 hits for monomerid = 50104715   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50104715
PNG
((S)-2-(phenylsulfonamido)-N-(5-(4-(trifluoromethyl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C(F)(F)F |c:18,t:16|
Show InChI InChI=1S/C19H17F3N4O3S2/c1-12(26-31(28,29)15-5-3-2-4-6-15)17(27)23-18-25-24-16(11-30-18)13-7-9-14(10-8-13)19(20,21)22/h2-10,12,26H,11H2,1H3,(H,23,25,27)/t12-/m0/s1
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240n/an/an/an/an/an/an/an/a



Universität Bielefeld

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


J Med Chem 44: 3231-43 (2001)


BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50104715
PNG
((S)-2-(phenylsulfonamido)-N-(5-(4-(trifluoromethyl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C(F)(F)F |c:18,t:16|
Show InChI InChI=1S/C19H17F3N4O3S2/c1-12(26-31(28,29)15-5-3-2-4-6-15)17(27)23-18-25-24-16(11-30-18)13-7-9-14(10-8-13)19(20,21)22/h2-10,12,26H,11H2,1H3,(H,23,25,27)/t12-/m0/s1
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260n/an/an/an/an/an/an/an/a



Universität Bielefeld

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-8


J Med Chem 44: 3231-43 (2001)


BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50104715
PNG
((S)-2-(phenylsulfonamido)-N-(5-(4-(trifluoromethyl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C(F)(F)F |c:18,t:16|
Show InChI InChI=1S/C19H17F3N4O3S2/c1-12(26-31(28,29)15-5-3-2-4-6-15)17(27)23-18-25-24-16(11-30-18)13-7-9-14(10-8-13)19(20,21)22/h2-10,12,26H,11H2,1H3,(H,23,25,27)/t12-/m0/s1
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300n/an/an/an/an/an/an/an/a



Universität Bielefeld

Curated by ChEMBL


Assay Description
In Vitro inhibitory activity against the catalytic domain of the matrix metalloprotease-12


J Med Chem 44: 3231-43 (2001)


BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50104715
PNG
((S)-2-(phenylsulfonamido)-N-(5-(4-(trifluoromethyl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C(F)(F)F |c:18,t:16|
Show InChI InChI=1S/C19H17F3N4O3S2/c1-12(26-31(28,29)15-5-3-2-4-6-15)17(27)23-18-25-24-16(11-30-18)13-7-9-14(10-8-13)19(20,21)22/h2-10,12,26H,11H2,1H3,(H,23,25,27)/t12-/m0/s1
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Article
PubMed
302n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50104715
PNG
((S)-2-(phenylsulfonamido)-N-(5-(4-(trifluoromethyl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C(F)(F)F |c:18,t:16|
Show InChI InChI=1S/C19H17F3N4O3S2/c1-12(26-31(28,29)15-5-3-2-4-6-15)17(27)23-18-25-24-16(11-30-18)13-7-9-14(10-8-13)19(20,21)22/h2-10,12,26H,11H2,1H3,(H,23,25,27)/t12-/m0/s1
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390n/an/an/an/an/an/an/an/a



Universität Bielefeld

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against the ectodomain of the human matrix metalloproteinase-14


J Med Chem 44: 3231-43 (2001)


BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50104715
PNG
((S)-2-(phenylsulfonamido)-N-(5-(4-(trifluoromethyl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C(F)(F)F |c:18,t:16|
Show InChI InChI=1S/C19H17F3N4O3S2/c1-12(26-31(28,29)15-5-3-2-4-6-15)17(27)23-18-25-24-16(11-30-18)13-7-9-14(10-8-13)19(20,21)22/h2-10,12,26H,11H2,1H3,(H,23,25,27)/t12-/m0/s1
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430n/an/an/an/an/an/an/an/a



Universität Bielefeld

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against the catalytic domain of the human matrix metalloprotease-1


J Med Chem 44: 3231-43 (2001)


BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50104715
PNG
((S)-2-(phenylsulfonamido)-N-(5-(4-(trifluoromethyl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C(F)(F)F |c:18,t:16|
Show InChI InChI=1S/C19H17F3N4O3S2/c1-12(26-31(28,29)15-5-3-2-4-6-15)17(27)23-18-25-24-16(11-30-18)13-7-9-14(10-8-13)19(20,21)22/h2-10,12,26H,11H2,1H3,(H,23,25,27)/t12-/m0/s1
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570n/an/an/an/an/an/an/an/a



Universität Bielefeld

Curated by ChEMBL


Assay Description
In Vitro inhibitory activity against the catalytic domain of the matrix metalloprotease-13


J Med Chem 44: 3231-43 (2001)


BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50104715
PNG
((S)-2-(phenylsulfonamido)-N-(5-(4-(trifluoromethyl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C(F)(F)F |c:18,t:16|
Show InChI InChI=1S/C19H17F3N4O3S2/c1-12(26-31(28,29)15-5-3-2-4-6-15)17(27)23-18-25-24-16(11-30-18)13-7-9-14(10-8-13)19(20,21)22/h2-10,12,26H,11H2,1H3,(H,23,25,27)/t12-/m0/s1
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580n/an/an/an/an/an/an/an/a



Universität Bielefeld

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against the catalytic domain of human matrix metalloprotease-14


J Med Chem 44: 3231-43 (2001)


BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair