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7 similar compounds to monomer 50310828

Compile data set for download or QSAR
Wt: 538.4
BDBM50310829
Wt: 538.4
BDBM50310832
Wt: 358.2
BDBM50362661
Wt: 358.2
BDBM50362662
Wt: 358.2
BDBM50362663
Purchase
Wt: 568.6
BDBM50429232
Wt: 568.6
BDBM50429233

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50310829,50310832,50362661,50362662,50362663,50429232,50429233   
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-2 (MMP-2)


(Rattus norvegicus (Rat))
BDBM50310829
PNG
(CHEMBL1081512 | clinopodic acid E)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc2O[C@@H]([C@@H](Oc2c1)C(O)=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C27H22O12/c28-16-5-1-14(9-18(16)30)11-22(26(33)34)37-23(32)8-3-13-2-7-20-21(10-13)39-25(27(35)36)24(38-20)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-31H,11H2,(H,33,34)(H,35,36)/b8-3+/t22-,24-,25-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of gelatinolytic activity of MMP2 in rat lung homogenate after 40 mins by SDS-PAGE preincubated for 30 mins


J Nat Prod 72: 1379-84 (2009)


Article DOI: 10.1021/np800781t
BindingDB Entry DOI: 10.7270/Q2891602
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50429232
PNG
(CHEMBL2333288)
Show SMILES COc1ccc(C[C@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50362661
PNG
(CHEMBL1939435)
Show SMILES OC(=O)\C=C\c1ccc2O[C@H]([C@H](Oc2c1)c1cc(O)cc(O)c1)C(O)=O
Show InChI InChI=1S/C18H14O8/c19-11-6-10(7-12(20)8-11)16-17(18(23)24)25-13-3-1-9(2-4-15(21)22)5-14(13)26-16/h1-8,16-17,19-20H,(H,21,22)(H,23,24)/b4-2+/t16-,17-/m1/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as inhibition of PGE2 production using arachidonic acid as substrate after 10 mins by ELISA


Bioorg Med Chem Lett 22: 793-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.072
BindingDB Entry DOI: 10.7270/Q2VT1SJQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50362662
PNG
(CHEMBL1939436)
Show SMILES OC(=O)\C=C\c1ccc2O[C@@H]([C@@H](Oc2c1)C(O)=O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C18H14O8/c19-11-6-10(7-12(20)8-11)16-17(18(23)24)26-14-5-9(2-4-15(21)22)1-3-13(14)25-16/h1-8,16-17,19-20H,(H,21,22)(H,23,24)/b4-2+/t16-,17-/m1/s1
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n/an/a 2.56E+4n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as inhibition of PGE2 production using arachidonic acid as substrate after 10 mins by ELISA


Bioorg Med Chem Lett 22: 793-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.072
BindingDB Entry DOI: 10.7270/Q2VT1SJQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50362663
PNG
(CHEMBL1939437)
Show SMILES OC(=O)\C=C\c1ccc2O[C@@H]([C@@H](Oc2c1)C(O)=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H14O8/c19-11-4-3-10(8-12(11)20)16-17(18(23)24)26-14-7-9(2-6-15(21)22)1-5-13(14)25-16/h1-8,16-17,19-20H,(H,21,22)(H,23,24)/b6-2+/t16-,17-/m1/s1
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n/an/a 5.26E+4n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as inhibition of PGE2 production using arachidonic acid as substrate after 10 mins by ELISA


Bioorg Med Chem Lett 22: 793-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.072
BindingDB Entry DOI: 10.7270/Q2VT1SJQ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50429232
PNG
(CHEMBL2333288)
Show SMILES COc1ccc(C[C@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50429233
PNG
(CHEMBL2333287)
Show SMILES COc1ccc(C[C@@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50429232
PNG
(CHEMBL2333288)
Show SMILES COc1ccc(C[C@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of MMP12 (unknown origin)


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50429233
PNG
(CHEMBL2333287)
Show SMILES COc1ccc(C[C@@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of MMP12 (unknown origin)


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50429232
PNG
(CHEMBL2333288)
Show SMILES COc1ccc(C[C@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin)


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50429233
PNG
(CHEMBL2333287)
Show SMILES COc1ccc(C[C@@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin)


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50429232
PNG
(CHEMBL2333288)
Show SMILES COc1ccc(C[C@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin)


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50429233
PNG
(CHEMBL2333287)
Show SMILES COc1ccc(C[C@@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin)


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50429232
PNG
(CHEMBL2333288)
Show SMILES COc1ccc(C[C@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50429233
PNG
(CHEMBL2333287)
Show SMILES COc1ccc(C[C@@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50429232
PNG
(CHEMBL2333288)
Show SMILES COc1ccc(C[C@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50429233
PNG
(CHEMBL2333287)
Show SMILES COc1ccc(C[C@@H](OC(=O)\C=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H32O8/c1-38-28-16-14-27(20-30(28)39-2)21-32(34(36)37)42-33(35)18-15-24-13-17-29(40-22-25-9-5-3-6-10-25)31(19-24)41-23-26-11-7-4-8-12-26/h3-20,32H,21-23H2,1-2H3,(H,36,37)/b18-15+/t32-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with ...


Eur J Med Chem 62: 148-57 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.047
BindingDB Entry DOI: 10.7270/Q2VQ341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-2 (MMP-2)


(Rattus norvegicus (Rat))
BDBM50310832
PNG
(CHEMBL1080779 | Clinopodic acid C)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc2O[C@H]([C@H](Oc2c1)C(O)=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C27H22O12/c28-16-5-1-14(9-18(16)30)11-22(26(33)34)37-23(32)8-3-13-2-7-20-21(10-13)39-25(27(35)36)24(38-20)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-31H,11H2,(H,33,34)(H,35,36)/b8-3+/t22-,24+,25+/m1/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.26E+3n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of gelatinolytic activity of MMP2 in rat lung homogenate after 40 mins by SDS-PAGE preincubated for 30 mins


J Nat Prod 72: 1379-84 (2009)


Article DOI: 10.1021/np800781t
BindingDB Entry DOI: 10.7270/Q2891602
More data for this
Ligand-Target Pair