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PubMed code 26546217

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
Zinc metalloproteinase dpy-31


(Brugia malayi)		BDBM50216823
PNG
(2-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoe...)
Show SMILES ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C20H26N4O5/c25-17(23-28)12-14(8-4-7-13-5-2-1-3-6-13)19-22-18(24-29-19)16-11-15(20(26)27)9-10-21-16/h9-11,13-14,28H,1-8,12H2,(H,23,25)(H,26,27)/t14-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of recombinant Brugia malayi DPY-31 astacin domain expressed in Escherichia coli using Suc-Ala-Ala-Ala-pNA as substrate preincubated for 3...

Bioorg Med Chem Lett 25: 5752-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.077
BindingDB Entry DOI: 10.7270/Q21839JQ
More data for this
Ligand-Target Pair
Zinc metalloproteinase dpy-31


(Teladorsagia circumcincta)		BDBM50499818
PNG
(CHEMBL3740110)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H32N4O6/c1-14(18(27)24-16(19(28)25-31)13-15-9-6-5-7-10-15)23-20(29)17-11-8-12-26(17)21(30)32-22(2,3)4/h5-7,9-10,14,16-17,31H,8,11-13H2,1-4H3,(H,23,29)(H,24,27)(H,25,28)/t14-,16-,17-/m0/s1
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n/an/a 2.51E+4n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of recombinant Teladorsagia circumcincta DPY-31 astacin domain expressed in Escherichia coli using Suc-Ala-Ala-Ala-pNA as substrate preinc...

Bioorg Med Chem Lett 25: 5752-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.077
BindingDB Entry DOI: 10.7270/Q21839JQ
More data for this
Ligand-Target Pair
Zinc metalloproteinase dpy-31


(Brugia malayi)		BDBM50499820
PNG
(CHEMBL3740431)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H34N4O6/c1-20(29(37)34-27(30(38)35-41)18-21-10-3-2-4-11-21)33-31(39)28-16-9-17-36(28)32(40)42-19-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h2-8,10-15,20,26-28,41H,9,16-19H2,1H3,(H,33,39)(H,34,37)(H,35,38)/t20-,27-,28-/m0/s1
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n/an/a 2.51E+4n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of recombinant Brugia malayi DPY-31 astacin domain expressed in Escherichia coli using Suc-Ala-Ala-Ala-pNA as substrate preincubated for 3...

Bioorg Med Chem Lett 25: 5752-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.077
BindingDB Entry DOI: 10.7270/Q21839JQ
More data for this
Ligand-Target Pair
Zinc metalloproteinase dpy-31


(Teladorsagia circumcincta)		BDBM50499820
PNG
(CHEMBL3740431)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H34N4O6/c1-20(29(37)34-27(30(38)35-41)18-21-10-3-2-4-11-21)33-31(39)28-16-9-17-36(28)32(40)42-19-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h2-8,10-15,20,26-28,41H,9,16-19H2,1H3,(H,33,39)(H,34,37)(H,35,38)/t20-,27-,28-/m0/s1
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n/an/a 3.16E+4n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of recombinant Teladorsagia circumcincta DPY-31 astacin domain expressed in Escherichia coli using Suc-Ala-Ala-Ala-pNA as substrate preinc...

Bioorg Med Chem Lett 25: 5752-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.077
BindingDB Entry DOI: 10.7270/Q21839JQ
More data for this
Ligand-Target Pair
Zinc metalloproteinase dpy-31


(Teladorsagia circumcincta)		BDBM50216823
PNG
(2-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoe...)
Show SMILES ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C20H26N4O5/c25-17(23-28)12-14(8-4-7-13-5-2-1-3-6-13)19-22-18(24-29-19)16-11-15(20(26)27)9-10-21-16/h9-11,13-14,28H,1-8,12H2,(H,23,25)(H,26,27)/t14-/m1/s1
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n/an/a 3.98E+4n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of recombinant Teladorsagia circumcincta DPY-31 astacin domain expressed in Escherichia coli using Suc-Ala-Ala-Ala-pNA as substrate preinc...

Bioorg Med Chem Lett 25: 5752-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.077
BindingDB Entry DOI: 10.7270/Q21839JQ
More data for this
Ligand-Target Pair
Zinc metalloproteinase dpy-31


(Brugia malayi)		BDBM50499818
PNG
(CHEMBL3740110)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H32N4O6/c1-14(18(27)24-16(19(28)25-31)13-15-9-6-5-7-10-15)23-20(29)17-11-8-12-26(17)21(30)32-22(2,3)4/h5-7,9-10,14,16-17,31H,8,11-13H2,1-4H3,(H,23,29)(H,24,27)(H,25,28)/t14-,16-,17-/m0/s1
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n/an/a 7.94E+4n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of recombinant Brugia malayi DPY-31 astacin domain expressed in Escherichia coli using Suc-Ala-Ala-Ala-pNA as substrate preincubated for 3...

Bioorg Med Chem Lett 25: 5752-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.077
BindingDB Entry DOI: 10.7270/Q21839JQ
More data for this
Ligand-Target Pair
Zinc metalloproteinase dpy-31


(Teladorsagia circumcincta)		BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 7.94E+4n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of recombinant Teladorsagia circumcincta DPY-31 astacin domain expressed in Escherichia coli using Suc-Ala-Ala-Ala-pNA as substrate preinc...

Bioorg Med Chem Lett 25: 5752-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.077
BindingDB Entry DOI: 10.7270/Q21839JQ
More data for this
Ligand-Target Pair
Zinc metalloproteinase dpy-31


(Brugia malayi)		BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of recombinant Brugia malayi DPY-31 astacin domain expressed in Escherichia coli using Suc-Ala-Ala-Ala-pNA as substrate preincubated for 3...

Bioorg Med Chem Lett 25: 5752-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.077
BindingDB Entry DOI: 10.7270/Q21839JQ
More data for this
Ligand-Target Pair
Zinc metalloproteinase dpy-31


(Teladorsagia circumcincta)		BDBM50499819
PNG
(CHEMBL3740244)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C37H52N5O9P/c1-26(35(45)41-21-12-19-31(41)36(46)50-2)25-52(48,49)32(23-27-13-5-3-6-14-27)40-33(43)29(17-9-10-20-38)39-34(44)30-18-11-22-42(30)37(47)51-24-28-15-7-4-8-16-28/h3-8,13-16,26,29-32H,9-12,17-25,38H2,1-2H3,(H,39,44)(H,40,43)(H,48,49)/t26-,29+,30+,31+,32-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of recombinant Teladorsagia circumcincta DPY-31 astacin domain expressed in Escherichia coli using Suc-Ala-Ala-Ala-pNA as substrate preinc...

Bioorg Med Chem Lett 25: 5752-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.077
BindingDB Entry DOI: 10.7270/Q21839JQ
More data for this
Ligand-Target Pair
Zinc metalloproteinase dpy-31


(Brugia malayi)		BDBM50499819
PNG
(CHEMBL3740244)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C37H52N5O9P/c1-26(35(45)41-21-12-19-31(41)36(46)50-2)25-52(48,49)32(23-27-13-5-3-6-14-27)40-33(43)29(17-9-10-20-38)39-34(44)30-18-11-22-42(30)37(47)51-24-28-15-7-4-8-16-28/h3-8,13-16,26,29-32H,9-12,17-25,38H2,1-2H3,(H,39,44)(H,40,43)(H,48,49)/t26-,29+,30+,31+,32-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of recombinant Brugia malayi DPY-31 astacin domain expressed in Escherichia coli using Suc-Ala-Ala-Ala-pNA as substrate preincubated for 3...

Bioorg Med Chem Lett 25: 5752-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.077
BindingDB Entry DOI: 10.7270/Q21839JQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%