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Compile Data Set for Download or QSAR

Found 10 hits of ki for monomerid = 120258   
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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM120258
PNG
(US8691753, 95 bis)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H33N3O9S/c32-29(41)23(10-12-26(35)36)33-31(43)24(11-13-27(37)38)34-30(42)21(16-28(39)40)14-18-6-8-20(9-7-18)25-15-22(17-44-25)19-4-2-1-3-5-19/h1-9,15,17,21,23-24H,10-14,16H2,(H2,32,41)(H,33,43)(H,34,42)(H,35,36)(H,37,38)(H,39,40)/t21-,23+,24+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Stromelysin-2


(Homo sapiens (Human))
BDBM120258
PNG
(US8691753, 95 bis)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H33N3O9S/c32-29(41)23(10-12-26(35)36)33-31(43)24(11-13-27(37)38)34-30(42)21(16-28(39)40)14-18-6-8-20(9-7-18)25-15-22(17-44-25)19-4-2-1-3-5-19/h1-9,15,17,21,23-24H,10-14,16H2,(H2,32,41)(H,33,43)(H,34,42)(H,35,36)(H,37,38)(H,39,40)/t21-,23+,24+/m1/s1
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80n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 [1-20,P8S]


(Homo sapiens (Human))
BDBM120258
PNG
(US8691753, 95 bis)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H33N3O9S/c32-29(41)23(10-12-26(35)36)33-31(43)24(11-13-27(37)38)34-30(42)21(16-28(39)40)14-18-6-8-20(9-7-18)25-15-22(17-44-25)19-4-2-1-3-5-19/h1-9,15,17,21,23-24H,10-14,16H2,(H2,32,41)(H,33,43)(H,34,42)(H,35,36)(H,37,38)(H,39,40)/t21-,23+,24+/m1/s1
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118n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM120258
PNG
(US8691753, 95 bis)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H33N3O9S/c32-29(41)23(10-12-26(35)36)33-31(43)24(11-13-27(37)38)34-30(42)21(16-28(39)40)14-18-6-8-20(9-7-18)25-15-22(17-44-25)19-4-2-1-3-5-19/h1-9,15,17,21,23-24H,10-14,16H2,(H2,32,41)(H,33,43)(H,34,42)(H,35,36)(H,37,38)(H,39,40)/t21-,23+,24+/m1/s1
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198n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM120258
PNG
(US8691753, 95 bis)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H33N3O9S/c32-29(41)23(10-12-26(35)36)33-31(43)24(11-13-27(37)38)34-30(42)21(16-28(39)40)14-18-6-8-20(9-7-18)25-15-22(17-44-25)19-4-2-1-3-5-19/h1-9,15,17,21,23-24H,10-14,16H2,(H2,32,41)(H,33,43)(H,34,42)(H,35,36)(H,37,38)(H,39,40)/t21-,23+,24+/m1/s1
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401n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM120258
PNG
(US8691753, 95 bis)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H33N3O9S/c32-29(41)23(10-12-26(35)36)33-31(43)24(11-13-27(37)38)34-30(42)21(16-28(39)40)14-18-6-8-20(9-7-18)25-15-22(17-44-25)19-4-2-1-3-5-19/h1-9,15,17,21,23-24H,10-14,16H2,(H2,32,41)(H,33,43)(H,34,42)(H,35,36)(H,37,38)(H,39,40)/t21-,23+,24+/m1/s1
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520n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM120258
PNG
(US8691753, 95 bis)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H33N3O9S/c32-29(41)23(10-12-26(35)36)33-31(43)24(11-13-27(37)38)34-30(42)21(16-28(39)40)14-18-6-8-20(9-7-18)25-15-22(17-44-25)19-4-2-1-3-5-19/h1-9,15,17,21,23-24H,10-14,16H2,(H2,32,41)(H,33,43)(H,34,42)(H,35,36)(H,37,38)(H,39,40)/t21-,23+,24+/m1/s1
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579n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM120258
PNG
(US8691753, 95 bis)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H33N3O9S/c32-29(41)23(10-12-26(35)36)33-31(43)24(11-13-27(37)38)34-30(42)21(16-28(39)40)14-18-6-8-20(9-7-18)25-15-22(17-44-25)19-4-2-1-3-5-19/h1-9,15,17,21,23-24H,10-14,16H2,(H2,32,41)(H,33,43)(H,34,42)(H,35,36)(H,37,38)(H,39,40)/t21-,23+,24+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM120258
PNG
(US8691753, 95 bis)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H33N3O9S/c32-29(41)23(10-12-26(35)36)33-31(43)24(11-13-27(37)38)34-30(42)21(16-28(39)40)14-18-6-8-20(9-7-18)25-15-22(17-44-25)19-4-2-1-3-5-19/h1-9,15,17,21,23-24H,10-14,16H2,(H2,32,41)(H,33,43)(H,34,42)(H,35,36)(H,37,38)(H,39,40)/t21-,23+,24+/m1/s1
PDB
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US Patent
>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM120258
PNG
(US8691753, 95 bis)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H33N3O9S/c32-29(41)23(10-12-26(35)36)33-31(43)24(11-13-27(37)38)34-30(42)21(16-28(39)40)14-18-6-8-20(9-7-18)25-15-22(17-44-25)19-4-2-1-3-5-19/h1-9,15,17,21,23-24H,10-14,16H2,(H2,32,41)(H,33,43)(H,34,42)(H,35,36)(H,37,38)(H,39,40)/t21-,23+,24+/m1/s1
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US Patent
>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair