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Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'stammler' and Initial = 'hg'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046866
PNG
(CHEMBL3319256)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,19,21)
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0.170n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
BindingDB Entry DOI: 10.7270/Q2GH9M6P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232425
PNG
(CHEMBL4061639)
Show SMILES Cn1ncc2cc(ccc12)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21)
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0.290n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
BindingDB Entry DOI: 10.7270/Q2GH9M6P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232429
PNG
(CHEMBL4104691)
Show SMILES COCCn1ncc2cc(ccc12)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N3O2/c1-24-7-6-22-16-5-2-11(8-12(16)10-20-22)17(23)21-13-3-4-14(18)15(19)9-13/h2-5,8-10H,6-7H2,1H3,(H,21,23)
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0.480n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
BindingDB Entry DOI: 10.7270/Q2GH9M6P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046865
PNG
(CHEMBL3319257)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-12(16)13(17)7-11/h2-8H,1H3,(H,18,21)
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0.640n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
BindingDB Entry DOI: 10.7270/Q2GH9M6P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
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3.60n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
BindingDB Entry DOI: 10.7270/Q2GH9M6P
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104706
PNG
(CHEMBL111179 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...)
Show SMILES C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O3S2/c1-13(24-29(26,27)12-14-5-3-2-4-6-14)18(25)21-19-23-22-17(11-28-19)15-7-9-16(20)10-8-15/h2-10,13,24H,11-12H2,1H3,(H,21,23,25)/t13-/m0/s1
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40n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104718
PNG
((R)-N-(5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl)...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H17BrN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1
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40n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50104710
PNG
((R)-N-(5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1
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50n/an/an/an/an/an/an/an/a



Universität Bielefeld

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-14


J Med Chem 44: 3231-43 (2001)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104717
PNG
((R)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1
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50n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104721
PNG
((S)-N-(5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m0/s1
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60n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50104714
PNG
(CHEMBL109861 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...)
Show SMILES C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN4O3S3/c1-10(21-27(23,24)14-3-2-8-25-14)15(22)18-16-20-19-13(9-26-16)11-4-6-12(17)7-5-11/h2-8,10,21H,9H2,1H3,(H,18,20,22)/t10-/m0/s1
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60n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104709
PNG
((R)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H17N5O3S2/c1-13(24-29(26,27)16-5-3-2-4-6-16)18(25)21-19-23-22-17(12-28-19)15-9-7-14(11-20)8-10-15/h2-10,13,24H,12H2,1H3,(H,21,23,25)/t13-/m1/s1
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80n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104723
PNG
(2-Benzenesulfonylamino-N-[5-(4-chloro-phenyl)-6H-[...)
Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O3S2/c1-19(2,24-29(26,27)15-6-4-3-5-7-15)17(25)21-18-23-22-16(12-28-18)13-8-10-14(20)11-9-13/h3-11,24H,12H2,1-2H3,(H,21,23,25)
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80n/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-2


J Med Chem 44: 3231-43 (2001)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104710
PNG
((R)-N-(5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1
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80n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104707
PNG
((S)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H17N5O3S2/c1-13(24-29(26,27)16-5-3-2-4-6-16)18(25)21-19-23-22-17(12-28-19)15-9-7-14(11-20)8-10-15/h2-10,13,24H,12H2,1H3,(H,21,23,25)/t13-/m0/s1
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80n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50104716
PNG
((R)-2-(phenylsulfonamido)-N-(5-p-tolyl-6H-1,3,4-th...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(C)cc1
Show InChI InChI=1S/C19H20N4O3S2/c1-13-8-10-15(11-9-13)17-12-27-19(22-21-17)20-18(24)14(2)23-28(25,26)16-6-4-3-5-7-16/h3-11,14,23H,12H2,1-2H3,(H,20,22,24)/t14-/m1/s1
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90n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104723
PNG
(2-Benzenesulfonylamino-N-[5-(4-chloro-phenyl)-6H-[...)
Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O3S2/c1-19(2,24-29(26,27)15-6-4-3-5-7-15)17(25)21-18-23-22-16(12-28-18)13-8-10-14(20)11-9-13/h3-11,24H,12H2,1-2H3,(H,21,23,25)
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90n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104706
PNG
(CHEMBL111179 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...)
Show SMILES C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O3S2/c1-13(24-29(26,27)12-14-5-3-2-4-6-14)18(25)21-19-23-22-17(11-28-19)15-7-9-16(20)10-8-15/h2-10,13,24H,11-12H2,1H3,(H,21,23,25)/t13-/m0/s1
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90n/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-2


J Med Chem 44: 3231-43 (2001)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50104721
PNG
((S)-N-(5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m0/s1
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100n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50104722
PNG
((S)-N-(5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl)...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H17BrN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m0/s1
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110n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50104723
PNG
(2-Benzenesulfonylamino-N-[5-(4-chloro-phenyl)-6H-[...)
Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O3S2/c1-19(2,24-29(26,27)15-6-4-3-5-7-15)17(25)21-18-23-22-16(12-28-18)13-8-10-14(20)11-9-13/h3-11,24H,12H2,1-2H3,(H,21,23,25)
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110n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50104712
PNG
((S)-2-(phenylsulfonamido)-N-(5-p-tolyl-6H-1,3,4-th...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(C)cc1
Show InChI InChI=1S/C19H20N4O3S2/c1-13-8-10-15(11-9-13)17-12-27-19(22-21-17)20-18(24)14(2)23-28(25,26)16-6-4-3-5-7-16/h3-11,14,23H,12H2,1-2H3,(H,20,22,24)/t14-/m0/s1
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110n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104706
PNG
(CHEMBL111179 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...)
Show SMILES C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O3S2/c1-13(24-29(26,27)12-14-5-3-2-4-6-14)18(25)21-19-23-22-17(11-28-19)15-7-9-16(20)10-8-15/h2-10,13,24H,11-12H2,1H3,(H,21,23,25)/t13-/m0/s1
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120n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104713
PNG
((S)-N-(5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl)...)
Show SMILES CC(NS(=O)(=O)c1ccccc1)C(=O)NC1=N[N-][C+](CS1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H17N5O5S2/c1-12(22-30(27,28)15-5-3-2-4-6-15)17(24)19-18-21-20-16(11-29-18)13-7-9-14(10-8-13)23(25)26/h2-10,12,22H,11H2,1H3,(H,19,21,24)
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130n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104718
PNG
((R)-N-(5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl)...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H17BrN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1
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130n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104721
PNG
((S)-N-(5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m0/s1
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140n/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-2


J Med Chem 44: 3231-43 (2001)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104710
PNG
((R)-N-(5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1
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140n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50104723
PNG
(2-Benzenesulfonylamino-N-[5-(4-chloro-phenyl)-6H-[...)
Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O3S2/c1-19(2,24-29(26,27)15-6-4-3-5-7-15)17(25)21-18-23-22-16(12-28-18)13-8-10-14(20)11-9-13/h3-11,24H,12H2,1-2H3,(H,21,23,25)
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150n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50104716
PNG
((R)-2-(phenylsulfonamido)-N-(5-p-tolyl-6H-1,3,4-th...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(C)cc1
Show InChI InChI=1S/C19H20N4O3S2/c1-13-8-10-15(11-9-13)17-12-27-19(22-21-17)20-18(24)14(2)23-28(25,26)16-6-4-3-5-7-16/h3-11,14,23H,12H2,1-2H3,(H,20,22,24)/t14-/m1/s1
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150n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50104710
PNG
((R)-N-(5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1
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150n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104718
PNG
((R)-N-(5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl)...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H17BrN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1
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150n/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-2


J Med Chem 44: 3231-43 (2001)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104722
PNG
((S)-N-(5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl)...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H17BrN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m0/s1
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160n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104712
PNG
((S)-2-(phenylsulfonamido)-N-(5-p-tolyl-6H-1,3,4-th...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(C)cc1
Show InChI InChI=1S/C19H20N4O3S2/c1-13-8-10-15(11-9-13)17-12-27-19(22-21-17)20-18(24)14(2)23-28(25,26)16-6-4-3-5-7-16/h3-11,14,23H,12H2,1-2H3,(H,20,22,24)/t14-/m0/s1
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160n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104704
PNG
((S)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m0/s1
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160n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50104713
PNG
((S)-N-(5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl)...)
Show SMILES CC(NS(=O)(=O)c1ccccc1)C(=O)NC1=N[N-][C+](CS1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H17N5O5S2/c1-12(22-30(27,28)15-5-3-2-4-6-15)17(24)19-18-21-20-16(11-29-18)13-7-9-14(10-8-13)23(25)26/h2-10,12,22H,11H2,1H3,(H,19,21,24)
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170n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104711
PNG
(2-Benzenesulfonylamino-N-[5-(5-chloro-thiophen-2-y...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)s1
Show InChI InChI=1S/C16H15ClN4O3S3/c1-10(21-27(23,24)11-5-3-2-4-6-11)15(22)18-16-20-19-12(9-25-16)13-7-8-14(17)26-13/h2-8,10,21H,9H2,1H3,(H,18,20,22)/t10-/m0/s1
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170n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104721
PNG
((S)-N-(5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m0/s1
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180n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104723
PNG
(2-Benzenesulfonylamino-N-[5-(4-chloro-phenyl)-6H-[...)
Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O3S2/c1-19(2,24-29(26,27)15-6-4-3-5-7-15)17(25)21-18-23-22-16(12-28-18)13-8-10-14(20)11-9-13/h3-11,24H,12H2,1-2H3,(H,21,23,25)
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180n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50104711
PNG
(2-Benzenesulfonylamino-N-[5-(5-chloro-thiophen-2-y...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)s1
Show InChI InChI=1S/C16H15ClN4O3S3/c1-10(21-27(23,24)11-5-3-2-4-6-11)15(22)18-16-20-19-12(9-25-16)13-7-8-14(17)26-13/h2-8,10,21H,9H2,1H3,(H,18,20,22)/t10-/m0/s1
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180n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50104708
PNG
((S)-N-(5-(4-methoxyphenyl)-6H-1,3,4-thiadiazin-2-y...)
Show SMILES COc1ccc(cc1)C1=NN=C(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)SC1
Show InChI InChI=1S/C19H20N4O4S2/c1-13(23-29(25,26)16-6-4-3-5-7-16)18(24)20-19-22-21-17(12-28-19)14-8-10-15(27-2)11-9-14/h3-11,13,23H,12H2,1-2H3,(H,20,22,24)/t13-/m0/s1
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180n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50104718
PNG
((R)-N-(5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl)...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H17BrN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1
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180n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50104706
PNG
(CHEMBL111179 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...)
Show SMILES C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O3S2/c1-13(24-29(26,27)12-14-5-3-2-4-6-14)18(25)21-19-23-22-17(11-28-19)15-7-9-16(20)10-8-15/h2-10,13,24H,11-12H2,1H3,(H,21,23,25)/t13-/m0/s1
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180n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50104704
PNG
((S)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m0/s1
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190n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50104706
PNG
(CHEMBL111179 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...)
Show SMILES C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O3S2/c1-13(24-29(26,27)12-14-5-3-2-4-6-14)18(25)21-19-23-22-17(11-28-19)15-7-9-16(20)10-8-15/h2-10,13,24H,11-12H2,1H3,(H,21,23,25)/t13-/m0/s1
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190n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50104711
PNG
(2-Benzenesulfonylamino-N-[5-(5-chloro-thiophen-2-y...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)s1
Show InChI InChI=1S/C16H15ClN4O3S3/c1-10(21-27(23,24)11-5-3-2-4-6-11)15(22)18-16-20-19-12(9-25-16)13-7-8-14(17)26-13/h2-8,10,21H,9H2,1H3,(H,18,20,22)/t10-/m0/s1
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200n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104719
PNG
((S)-N-(5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O3S2/c1-13(2)18(25-30(27,28)16-6-4-3-5-7-16)19(26)22-20-24-23-17(12-29-20)14-8-10-15(21)11-9-14/h3-11,13,18,25H,12H2,1-2H3,(H,22,24,26)/t18-/m0/s1
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200n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50104723
PNG
(2-Benzenesulfonylamino-N-[5-(4-chloro-phenyl)-6H-[...)
Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O3S2/c1-19(2,24-29(26,27)15-6-4-3-5-7-15)17(25)21-18-23-22-16(12-28-18)13-8-10-14(20)11-9-13/h3-11,24H,12H2,1-2H3,(H,21,23,25)
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200n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50104706
PNG
(CHEMBL111179 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...)
Show SMILES C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O3S2/c1-13(24-29(26,27)12-14-5-3-2-4-6-14)18(25)21-19-23-22-17(11-28-19)15-7-9-16(20)10-8-15/h2-10,13,24H,11-12H2,1H3,(H,21,23,25)/t13-/m0/s1
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200n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50104718
PNG
((R)-N-(5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl)...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H17BrN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1
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200n/an/an/an/an/an/an/an/a



Universität Bielefeld

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-14


J Med Chem 44: 3231-43 (2001)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104709
PNG
((R)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H17N5O3S2/c1-13(24-29(26,27)16-5-3-2-4-6-16)18(25)21-19-23-22-17(12-28-19)15-9-7-14(11-20)8-10-15/h2-10,13,24H,12H2,1H3,(H,21,23,25)/t13-/m1/s1
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210n/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)


Article DOI: 10.1021/jm010887p
BindingDB Entry DOI: 10.7270/Q2RN3758
More data for this
Ligand-Target Pair
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