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Compile Data Set for Download or QSAR

Found 24 hits of affinity data for UniProtKB/TrEMBL: B7Z2K6   
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
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50253810
PNG
(CHEMBL459505 | N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1...)
Show SMILES CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
Show InChI InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)
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n/an/a 0.460n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157605
PNG
(LIAROZOLE | Liarozole | Liazal | R-75251)
Show SMILES Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1
Show InChI InChI=1/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
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n/an/a 18n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM31886
PNG
(CD564 | CHEMBL309282)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
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n/an/a 520n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157722
PNG
(CHEMBL3787323)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C26H32O2S2/c1-24(2)13-14-25(3,4)22-17-20(10-11-21(22)24)26(29-15-16-30-26)19-8-5-18(6-9-19)7-12-23(27)28/h5-6,8-11,17H,7,12-16H2,1-4H3,(H,27,28)
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n/an/a 680n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157724
PNG
(CHEMBL3787564)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)COc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H26O4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13H,11-12,14H2,1-4H3,(H,25,26)
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n/an/a 930n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157721
PNG
(CHEMBL3786620)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C28H30O4/c1-26(2)11-12-27(3,4)24-17-22(9-10-23(24)26)28(31-13-14-32-28)21-8-7-18-15-20(25(29)30)6-5-19(18)16-21/h5-10,15-17H,11-14H2,1-4H3,(H,29,30)
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n/an/a 1.03E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157727
PNG
(CHEMBL3786184)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C28H30O2S2/c1-26(2)11-12-27(3,4)24-17-22(9-10-23(24)26)28(31-13-14-32-28)21-8-7-18-15-20(25(29)30)6-5-19(18)16-21/h5-10,15-17H,11-14H2,1-4H3,(H,29,30)
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n/an/a 1.03E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50033067
PNG
(4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O2S2/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157731
PNG
(CHEMBL3785511)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(O)COc1ccc(cc1)C(O)=O
Show InChI InChI=1/C23H28O4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13,20,24H,11-12,14H2,1-4H3,(H,25,26)
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n/an/a 1.40E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157729
PNG
(CHEMBL3787691)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(\COc1ccc(cc1)C(O)=O)=N\O
Show InChI InChI=1S/C23H27NO4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24-27)14-28-17-8-5-15(6-9-17)21(25)26/h5-10,13,27H,11-12,14H2,1-4H3,(H,25,26)/b24-20+
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n/an/a 1.40E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157604
PNG
(CHEMBL3786324)
Show SMILES CC1(C)CCC(C)(C)c2cc(Cc3ccc(CCC(O)=O)cc3)ccc12
Show InChI InChI=1S/C24H30O2/c1-23(2)13-14-24(3,4)21-16-19(9-11-20(21)23)15-18-7-5-17(6-8-18)10-12-22(25)26/h5-9,11,16H,10,12-15H2,1-4H3,(H,25,26)
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n/an/a 1.70E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157718
PNG
(CHEMBL3785701)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H30O2S2/c1-24(2)13-14-25(3,4)22-17-20(10-11-21(22)24)26(29-15-16-30-26)19-8-5-18(6-9-19)7-12-23(27)28/h5-12,17H,13-16H2,1-4H3,(H,27,28)/b12-7+
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n/an/a 4.40E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157730
PNG
(CHEMBL3785557)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C22H26O4S/c1-21(2)11-12-22(3,4)19-14-17(9-10-18(19)21)27(25,26)16-7-5-15(6-8-16)13-20(23)24/h5-10,14H,11-13H2,1-4H3,(H,23,24)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157608
PNG
(CHEMBL95949)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C24H26O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)22(27)17-8-5-16(6-9-17)7-12-21(25)26/h5-12,15H,13-14H2,1-4H3,(H,25,26)/b12-7+
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n/an/a>5.00E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157726
PNG
(CHEMBL3786043)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(CC(O)=O)cc3)ccc12
Show InChI InChI=1S/C22H26O2S/c1-21(2)11-12-22(3,4)19-14-17(9-10-18(19)21)25-16-7-5-15(6-8-16)13-20(23)24/h5-10,14H,11-13H2,1-4H3,(H,23,24)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157719
PNG
(CHEMBL3785624)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C24H28O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)22(27)17-8-5-16(6-9-17)7-12-21(25)26/h5-6,8-11,15H,7,12-14H2,1-4H3,(H,25,26)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157723
PNG
(CHEMBL3786927)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3cccc(CC(O)=O)c3)ccc12
Show InChI InChI=1S/C22H26O2S/c1-21(2)10-11-22(3,4)19-14-17(8-9-18(19)21)25-16-7-5-6-15(12-16)13-20(23)24/h5-9,12,14H,10-11,13H2,1-4H3,(H,23,24)
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The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157728
PNG
(CHEMBL3785761)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)c1cccc(CC(O)=O)c1
Show InChI InChI=1S/C22H26O4S/c1-21(2)10-11-22(3,4)19-14-17(8-9-18(19)21)27(25,26)16-7-5-6-15(12-16)13-20(23)24/h5-9,12,14H,10-11,13H2,1-4H3,(H,23,24)
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The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/a 5.90E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157720
PNG
(CHEMBL3786340)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)S(=O)(=O)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C23H28O4S/c1-22(2)13-14-23(3,4)20-15-18(10-11-19(20)22)28(26,27)17-8-5-16(6-9-17)7-12-21(24)25/h5-6,8-11,15H,7,12-14H2,1-4H3,(H,24,25)
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n/an/a 6.20E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157717
PNG
(CHEMBL3786581)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H30O4/c1-24(2)13-14-25(3,4)22-17-20(10-11-21(22)24)26(29-15-16-30-26)19-8-5-18(6-9-19)7-12-23(27)28/h5-12,17H,13-16H2,1-4H3,(H,27,28)/b12-7+
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50033077
PNG
(4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)
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n/an/a 1.26E+4n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50157611
PNG
(CHEMBL3787627)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C26H32O4/c1-24(2)13-14-25(3,4)22-17-20(10-11-21(22)24)26(29-15-16-30-26)19-8-5-18(6-9-19)7-12-23(27)28/h5-6,8-11,17H,7,12-16H2,1-4H3,(H,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.45E+4n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair