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PubMed code 26101560

Compile data set for download or QSAR
Found 14 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
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097408
PNG
(CHEMBL3586452)
Show SMILES Cc1ccccc1-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
Show InChI InChI=1S/C18H13F3N4O/c1-10-4-2-3-5-12(10)11-6-14-16(22-7-11)15-13(8-23-24-15)17(26)25(14)9-18(19,20)21/h2-8H,9H2,1H3,(H,23,24)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097405
PNG
(CHEMBL3586455)
Show SMILES CNS(=O)(=O)c1ccccc1-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
Show InChI InChI=1S/C18H14F3N5O3S/c1-22-30(28,29)14-5-3-2-4-11(14)10-6-13-16(23-7-10)15-12(8-24-25-15)17(27)26(13)9-18(19,20)21/h2-8,22H,9H2,1H3,(H,24,25)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097403
PNG
(CHEMBL3586457)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
Show InChI InChI=1S/C21H20F3N7O/c1-29-4-6-30(7-5-29)17-3-2-13(9-25-17)14-8-16-19(26-10-14)18-15(11-27-28-18)20(32)31(16)12-21(22,23)24/h2-3,8-11H,4-7,12H2,1H3,(H,27,28)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097404
PNG
(CHEMBL3586456)
Show SMILES CS(=O)(=O)Nc1ccccc1-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
Show InChI InChI=1S/C18H14F3N5O3S/c1-30(28,29)25-13-5-3-2-4-11(13)10-6-14-16(22-7-10)15-12(8-23-24-15)17(27)26(14)9-18(19,20)21/h2-8,25H,9H2,1H3,(H,23,24)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097401
PNG
(CHEMBL3586459 | US9856257, 3)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cc2n(CC(F)(F)F)c(=O)c3cn[nH]c3c2cn1
Show InChI InChI=1S/C21H20F3N7O/c1-29-4-6-30(7-5-29)18-8-13(2-3-25-18)16-9-17-14(10-26-16)19-15(11-27-28-19)20(32)31(17)12-21(22,23)24/h2-3,8-11H,4-7,12H2,1H3,(H,27,28)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097412
PNG
(CHEMBL3586448 | US9856257, 37)
Show SMILES FC(F)(F)Cn1c2cc(cnc2c2[nH]ncc2c1=O)-c1cccnc1Cl
Show InChI InChI=1S/C16H9ClF3N5O/c17-14-9(2-1-3-21-14)8-4-11-13(22-5-8)12-10(6-23-24-12)15(26)25(11)7-16(18,19)20/h1-6H,7H2,(H,23,24)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097399
PNG
(CHEMBL3586461)
Show SMILES FC(F)(F)Cn1c2cc(ncc2c2[nH]ncc2c1=O)-c1ncccc1Cl
Show InChI InChI=1S/C16H9ClF3N5O/c17-10-2-1-3-21-14(10)11-4-12-8(5-22-11)13-9(6-23-24-13)15(26)25(12)7-16(18,19)20/h1-6H,7H2,(H,23,24)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097407
PNG
(CHEMBL3586453)
Show SMILES FC(F)(F)Cn1c2cc(cnc2c2[nH]ncc2c1=O)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H10F6N4O/c19-17(20,21)8-28-13-5-9(10-3-1-2-4-12(10)18(22,23)24)6-25-15(13)14-11(16(28)29)7-26-27-14/h1-7H,8H2,(H,26,27)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097400
PNG
(CHEMBL3586460)
Show SMILES FC(F)(F)Cn1c2cc(ncc2c2[nH]ncc2c1=O)-c1ccccc1CNC1CC1
Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)11-29-18-7-17(14-4-2-1-3-12(14)8-25-13-5-6-13)26-9-15(18)19-16(20(29)30)10-27-28-19/h1-4,7,9-10,13,25H,5-6,8,11H2,(H,27,28)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097410
PNG
(CHEMBL3586450)
Show SMILES CN1CCN(CC1)c1cncc(c1)-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
Show InChI InChI=1S/C21H20F3N7O/c1-29-2-4-30(5-3-29)15-6-13(8-25-10-15)14-7-17-19(26-9-14)18-16(11-27-28-18)20(32)31(17)12-21(22,23)24/h6-11H,2-5,12H2,1H3,(H,27,28)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097411
PNG
(CHEMBL3586449 | US9856257, 67)
Show SMILES FC(F)(F)Cn1c2cc(cnc2c2[nH]ncc2c1=O)-c1cccnc1
Show InChI InChI=1S/C16H10F3N5O/c17-16(18,19)8-24-12-4-10(9-2-1-3-20-5-9)6-21-14(12)13-11(15(24)25)7-22-23-13/h1-7H,8H2,(H,22,23)
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n/an/a 6.40E+4n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097402
PNG
(CHEMBL3586458)
Show SMILES FC(F)(F)Cn1c2cc(cnc2c2[nH]ncc2c1=O)-c1ccccc1N1CCOCC1
Show InChI InChI=1S/C21H18F3N5O2/c22-21(23,24)12-29-17-9-13(10-25-19(17)18-15(20(29)30)11-26-27-18)14-3-1-2-4-16(14)28-5-7-31-8-6-28/h1-4,9-11H,5-8,12H2,(H,26,27)
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n/an/a 1.87E+5n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097409
PNG
(CHEMBL3586451)
Show SMILES Fc1ccc(cc1)-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
Show InChI InChI=1S/C17H10F4N4O/c18-11-3-1-9(2-4-11)10-5-13-15(22-6-10)14-12(7-23-24-14)16(26)25(13)8-17(19,20)21/h1-7H,8H2,(H,23,24)
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n/an/a 2.34E+5n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))		BDBM50097406
PNG
(CHEMBL3586454)
Show SMILES NC(=O)c1ccccc1-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
Show InChI InChI=1S/C18H12F3N5O2/c19-18(20,21)8-26-13-5-9(10-3-1-2-4-11(10)16(22)27)6-23-15(13)14-12(17(26)28)7-24-25-14/h1-7H,8H2,(H2,22,27)(H,24,25)
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n/an/a 1.02E+6n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay

ACS Med Chem Lett 6: 622-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00177
BindingDB Entry DOI: 10.7270/Q21J9CJK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%