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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Methionine synthase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Methionine synthase


(Homo sapiens)
BDBM50392652
PNG
(CHEMBL2153714)
Show SMILES Nc1nc(N)c2N(CC(Br)CBr)C(CNc3ccc(cc3Br)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2n1
Show InChI InChI=1S/C23H28Br3N7O5/c24-8-12(25)10-33-13(2-4-16-19(33)20(27)32-23(28)31-16)9-29-15-3-1-11(7-14(15)26)21(36)30-17(22(37)38)5-6-18(34)35/h1,3,7,12-13,17,29H,2,4-6,8-10H2,(H,30,36)(H,34,35)(H,37,38)(H4,27,28,31,32)/t12?,13?,17-/m0/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Citation and Details
More data for this
Ligand-Target Pair
Methionine synthase


(Homo sapiens)
BDBM50392649
PNG
(CHEMBL2153712)
Show SMILES CC(=O)N(CC1CCc2nc(N)nc(N)c2N1C=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C23H27N7O7/c1-12(32)29(10-15-6-7-16-19(30(15)11-31)20(24)28-23(25)27-16)14-4-2-13(3-5-14)21(35)26-17(22(36)37)8-9-18(33)34/h2-5,11,15,17H,6-10H2,1H3,(H,26,35)(H,33,34)(H,36,37)(H4,24,25,27,28)/t15?,17-/m0/s1
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n/an/a 1.73E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Citation and Details
More data for this
Ligand-Target Pair
Methionine synthase


(Homo sapiens)
BDBM50392656
PNG
(CHEMBL2153711)
Show SMILES CN(CC1CCc2nc(N)nc(N)c2N1C=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H27N7O6/c1-28(10-14-6-7-15-18(29(14)11-30)19(23)27-22(24)26-15)13-4-2-12(3-5-13)20(33)25-16(21(34)35)8-9-17(31)32/h2-5,11,14,16H,6-10H2,1H3,(H,25,33)(H,31,32)(H,34,35)(H4,23,24,26,27)/t14?,16-/m0/s1
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n/an/a 8.11E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Citation and Details
More data for this
Ligand-Target Pair
Methionine synthase


(Homo sapiens)
BDBM50392661
PNG
(CHEMBL2153703)
Show SMILES Nc1nc(N)c2N(CC=C)C(CN(CC=C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2n1
Show InChI InChI=1S/C26H33N7O5/c1-3-13-32(15-18-9-10-19-22(33(18)14-4-2)23(27)31-26(28)30-19)17-7-5-16(6-8-17)24(36)29-20(25(37)38)11-12-21(34)35/h3-8,18,20H,1-2,9-15H2,(H,29,36)(H,34,35)(H,37,38)(H4,27,28,30,31)/t18?,20-/m0/s1
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n/an/a 1.59E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Citation and Details
More data for this
Ligand-Target Pair
Methionine synthase


(Homo sapiens)
BDBM50392651
PNG
(CHEMBL2153713)
Show SMILES Nc1nc(N)c2N(CC=C)C(CNc3ccc(cc3Br)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2n1
Show InChI InChI=1S/C23H28BrN7O5/c1-2-9-31-13(4-6-16-19(31)20(25)30-23(26)29-16)11-27-15-5-3-12(10-14(15)24)21(34)28-17(22(35)36)7-8-18(32)33/h2-3,5,10,13,17,27H,1,4,6-9,11H2,(H,28,34)(H,32,33)(H,35,36)(H4,25,26,29,30)/t13?,17-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Citation and Details
More data for this
Ligand-Target Pair
Methionine synthase


(Homo sapiens)
BDBM50392660
PNG
(CHEMBL2153706)
Show SMILES Nc1nc(N)c2N(CC=C)C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2n1
Show InChI InChI=1S/C23H29N7O5/c1-2-11-30-15(7-8-16-19(30)20(24)29-23(25)28-16)12-26-14-5-3-13(4-6-14)21(33)27-17(22(34)35)9-10-18(31)32/h2-6,15,17,26H,1,7-12H2,(H,27,33)(H,31,32)(H,34,35)(H4,24,25,28,29)/t15?,17-/m0/s1
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n/an/a 2.78E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Citation and Details
More data for this
Ligand-Target Pair
Methionine synthase


(Homo sapiens)
BDBM50392655
PNG
(CHEMBL2153710)
Show SMILES CN(CC1CCc2nc(N)nc(N)c2N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C28H33N7O7S/c1-16-3-10-20(11-4-16)43(41,42)35-19(9-12-21-24(35)25(29)33-28(30)32-21)15-34(2)18-7-5-17(6-8-18)26(38)31-22(27(39)40)13-14-23(36)37/h3-8,10-11,19,22H,9,12-15H2,1-2H3,(H,31,38)(H,36,37)(H,39,40)(H4,29,30,32,33)/t19?,22-/m0/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Citation and Details
More data for this
Ligand-Target Pair
Methionine synthase


(Homo sapiens)
BDBM50392650
PNG
(CHEMBL2153704)
Show SMILES Nc1nc(N)c2N3CN(CC3CCc2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H25N7O5/c22-18-17-14(25-21(23)26-18)6-5-13-9-27(10-28(13)17)12-3-1-11(2-4-12)19(31)24-15(20(32)33)7-8-16(29)30/h1-4,13,15H,5-10H2,(H,24,31)(H,29,30)(H,32,33)(H4,22,23,25,26)/t13?,15-/m0/s1
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n/an/a 6.64E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Citation and Details
More data for this
Ligand-Target Pair
Methionine synthase


(Homo sapiens)
BDBM50392659
PNG
(CHEMBL2153708)
Show SMILES Nc1nc(N)c2NC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2n1
Show InChI InChI=1S/C20H25N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-4,12,14,23-24H,5-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)/t12?,14-/m0/s1
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n/an/a 8.79E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Citation and Details
More data for this
Ligand-Target Pair
Methionine synthase


(Homo sapiens)
BDBM50392657
PNG
(CHEMBL2153705)
Show SMILES CN(CC1CCc2nc(N)nc(N)c2N1CC=C)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C24H31N7O5/c1-3-12-31-16(8-9-17-20(31)21(25)29-24(26)28-17)13-30(2)15-6-4-14(5-7-15)22(34)27-18(23(35)36)10-11-19(32)33/h3-7,16,18H,1,8-13H2,2H3,(H,27,34)(H,32,33)(H,35,36)(H4,25,26,28,29)/t16?,18-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Citation and Details
More data for this
Ligand-Target Pair
Methionine synthase


(Homo sapiens)
BDBM50392658
PNG
(CHEMBL2151066)
Show SMILES CC(=O)N(CC1CCc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H27N7O6/c1-11(30)29(10-13-4-7-15-18(25-13)19(23)28-22(24)27-15)14-5-2-12(3-6-14)20(33)26-16(21(34)35)8-9-17(31)32/h2-3,5-6,13,16,25H,4,7-10H2,1H3,(H,26,33)(H,31,32)(H,34,35)(H4,23,24,27,28)/t13?,16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Citation and Details
More data for this
Ligand-Target Pair
Methionine synthase


(Homo sapiens)
BDBM50392653
PNG
(CHEMBL2153707)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2n1
Show InChI InChI=1S/C20H21N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-6,14,23H,7-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)/t14-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Citation and Details
More data for this
Ligand-Target Pair
Methionine synthase


(Homo sapiens)
BDBM50392654
PNG
(CHEMBL2153709)
Show SMILES CN(CC1CCc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H27N7O5/c1-28(10-12-4-7-14-17(24-12)18(22)27-21(23)26-14)13-5-2-11(3-6-13)19(31)25-15(20(32)33)8-9-16(29)30/h2-3,5-6,12,15,24H,4,7-10H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,22,23,26,27)/t12?,15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Citation and Details
More data for this
Ligand-Target Pair