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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase SETD7' 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
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50075073
PNG
(CHEMBL3414622)
Show SMILES Fc1cc(cc2CCNCc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(F)(F)F)C(=O)N1CCCC1
Show InChI InChI=1/C23H25F4N3O3S/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2/t21-/s2
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0.330n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of full-length human SETD7 expressed in Escherichia coli BL21 (DE3) using biotinylated histone H3 (1 to 25) as substrate after 1 hr by Fla...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50075073
PNG
(CHEMBL3414622)
Show SMILES Fc1cc(cc2CCNCc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(F)(F)F)C(=O)N1CCCC1
Show InChI InChI=1/C23H25F4N3O3S/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2/t21-/s2
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n/an/a 2n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of full-length human SETD7 expressed in Escherichia coli BL21 (DE3) using biotinylated histone H3 (1 to 25) as substrate after 1 hr by Fla...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50075101
PNG
(CHEMBL3414624)
Show SMILES CCCN[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C18H29N7O5/c1-2-5-21-9(3-4-10(19)18(28)29)6-11-13(26)14(27)17(30-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-27H,2-6,19H2,1H3,(H,28,29)(H2,20,22,23)/t9-,10-,11+,13+,14+,17+/s2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of full-length human SETD7 using histamine H3 (1 to 21) as substrate assessed as transfer of [3H]-Me of [3H-Me]-SAM to peptide substrate a...


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50378739
PNG
(SINEFUNGIN)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



University Park

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant SET7 after 90 mins by SDS-PAGE based scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50124901
PNG
(CHEMBL3623751)
Show SMILES CCOC(=O)c1c(N)sc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1C
Show InChI InChI=1S/C15H15N3O5S/c1-3-23-15(20)11-8(2)12(24-13(11)16)14(19)17-9-5-4-6-10(7-9)18(21)22/h4-7H,3,16H2,1-2H3,(H,17,19)
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n/an/a 4.59E+3n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Competitive inhibition of SET7 (unknown origin) after 60 mins by AlphaLISA method in presence of SAM


J Med Chem 58: 8166-81 (2015)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50124905
PNG
(CHEMBL3623770)
Show SMILES COC(=O)c1c(N)sc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1C
Show InChI InChI=1S/C14H13N3O5S/c1-7-10(14(19)22-2)12(15)23-11(7)13(18)16-8-4-3-5-9(6-8)17(20)21/h3-6H,15H2,1-2H3,(H,16,18)
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n/an/a 4.88E+3n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Competitive inhibition of SET7 (unknown origin) after 60 mins by AlphaLISA method in presence of SAM


J Med Chem 58: 8166-81 (2015)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50001750
PNG
(CHEMBL3238424)
Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)
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n/an/a 9.93E+3n/an/an/an/an/an/a



Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of methyl-transferase activity in GST-tagged recombinant SET7/9 (unknown origin) expressed in Escherichia coli BL21 using H3(1-20)-cys-bio...


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50353131
PNG
(CHEMBL1829304)
Show SMILES COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
Show InChI InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD7 assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50001750
PNG
(CHEMBL3238424)
Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of 10 nM SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin at 15 to 50 uM after 5 mins by scintillation proximity a...


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50001750
PNG
(CHEMBL3238424)
Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)
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n/an/a 1.95E+4n/an/an/an/an/an/a



Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of 100 nM SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin at 15 to 50 uM after 5 mins by scintillation proximity ...


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Inhibition of SET7 (unknown origin)


J Med Chem 58: 8166-81 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50001750
PNG
(CHEMBL3238424)
Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)
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n/an/a 2.25E+4n/an/an/an/an/an/a



Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of 50 nM SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin at 15 to 50 uM after 5 mins by scintillation proximity a...


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50001750
PNG
(CHEMBL3238424)
Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)
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n/an/a 2.25E+4n/an/an/an/an/an/a



Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin after 5 mins by scintillation proximity assay in presence of [...


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SETD7 (unknown origin) by HMT assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50124900
PNG
(CHEMBL3623592)
Show SMILES COc1ccc(NC(=O)c2cccc(c2)[N+]([O-])=O)cc1OC
Show InChI InChI=1S/C15H14N2O5/c1-21-13-7-6-11(9-14(13)22-2)16-15(18)10-4-3-5-12(8-10)17(19)20/h3-9H,1-2H3,(H,16,18)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Competitive inhibition of SET7 (unknown origin) after 60 mins by AlphaLISA method in presence of SAM


J Med Chem 58: 8166-81 (2015)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50124902
PNG
(CHEMBL3623752)
Show SMILES CC(C)COC(=O)c1c(N)sc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1C
Show InChI InChI=1S/C17H19N3O5S/c1-9(2)8-25-17(22)13-10(3)14(26-15(13)18)16(21)19-11-5-4-6-12(7-11)20(23)24/h4-7,9H,8,18H2,1-3H3,(H,19,21)
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n/an/a 3.77E+4n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Competitive inhibition of SET7 (unknown origin) after 60 mins by AlphaLISA method in presence of SAM


J Med Chem 58: 8166-81 (2015)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50323813
PNG
(7-(2-(2-(Dimethylamino)ethoxy)ethoxy)-6-methoxy-2-...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C27H45N7O3/c1-31(2)15-16-36-17-18-37-25-20-23-22(19-24(25)35-5)26(28-21-7-11-33(4)12-8-21)30-27(29-23)34-10-6-9-32(3)13-14-34/h19-21H,6-18H2,1-5H3,(H,28,29,30)
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n/an/a>4.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity SET7/9 by enzyme coupled S-adenocylehomocystein detection assay


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a>4.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity SET7/9 by enzyme coupled S-adenocylehomocystein detection assay


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50400781
PNG
(CHEMBL2204997)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C31H39N7O2/c1-6-7-22-14-21(4)35-31(40)26(22)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)23-8-9-29(32-17-23)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)
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n/an/a 4.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SET7 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50124903
PNG
(CHEMBL3623753)
Show SMILES Cc1c(sc(N)c1C(=O)OC(N)=O)C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O6S/c1-6-9(13(20)24-14(16)21)11(15)25-10(6)12(19)17-7-3-2-4-8(5-7)18(22)23/h2-5H,15H2,1H3,(H2,16,21)(H,17,19)
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n/an/a 4.95E+4n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Competitive inhibition of SET7 (unknown origin) after 60 mins by AlphaLISA method in presence of SAM


J Med Chem 58: 8166-81 (2015)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50124904
PNG
(CHEMBL3623769)
Show SMILES CCOC(=O)c1c(N)sc(C(=O)Nc2cccc(c2)C#N)c1C
Show InChI InChI=1S/C16H15N3O3S/c1-3-22-16(21)12-9(2)13(23-14(12)18)15(20)19-11-6-4-5-10(7-11)8-17/h4-7H,3,18H2,1-2H3,(H,19,20)
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n/an/a 6.16E+4n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Competitive inhibition of SET7 (unknown origin) after 60 mins by AlphaLISA method in presence of SAM


J Med Chem 58: 8166-81 (2015)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50124899
PNG
(CHEMBL1577117)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C14H10N2O5/c17-14(9-4-5-12-13(6-9)21-8-20-12)15-10-2-1-3-11(7-10)16(18)19/h1-7H,8H2,(H,15,17)
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n/an/a 6.18E+4n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Competitive inhibition of SET7 (unknown origin) after 60 mins by AlphaLISA method in presence of SAM


J Med Chem 58: 8166-81 (2015)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50400778
PNG
(CHEMBL2204995)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccnc(c1)N1CCN(C)CC1
Show InChI InChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)
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n/an/a 6.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SET7 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50346710
PNG
(CHEMBL1797443)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H20N2O3S/c26-21-10-14-23(15-11-21)31(29,30)24-16-12-22(13-17-24)27-25(28)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17H,26H2,(H,27,28)
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n/an/a 6.64E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of methyl transferase activity of SET7/9 using biotinylated histone H3(1-21) substrate by In-vitro time resolved fluorescence immunosorben...


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50124897
PNG
(CHEMBL3623578)
Show SMILES Cc1cc(co1)C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H10N2O4/c1-8-5-9(7-18-8)12(15)13-10-3-2-4-11(6-10)14(16)17/h2-7H,1H3,(H,13,15)
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n/an/a 8.92E+4n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Competitive inhibition of SET7 (unknown origin) after 60 mins by AlphaLISA method in presence of SAM


J Med Chem 58: 8166-81 (2015)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50063670
PNG
(CHEMBL3397332)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cc([nH]n1)-c1ccccc1
Show InChI InChI=1/C24H29N9O4S/c25-15(23(36)27-9-14-8-16(32-31-14)13-4-2-1-3-5-13)6-7-38-10-17-19(34)20(35)24(37-17)33-12-30-18-21(26)28-11-29-22(18)33/h1-5,8,11-12,15,17,19-20,24,34-35H,6-7,9-10,25H2,(H,27,36)(H,31,32)(H2,26,28,29)/t15-,17+,19+,20+,24+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SETD7 (unknown origin) by HMT assay


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50311688
PNG
(CHEMBL1080460 | N-(2-methoxybenzyl)-1-(3-((2-(meth...)
Show SMILES CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1OC)C(F)(F)F
Show InChI InChI=1S/C23H26F3N5O2/c1-27-10-11-28-14-16-6-5-8-18(12-16)31-19(13-21(30-31)23(24,25)26)22(32)29-15-17-7-3-4-9-20(17)33-2/h3-9,12-13,27-28H,10-11,14-15H2,1-2H3,(H,29,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant SET7/9 expressed in Escherichia coli by microbeta counting


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD7 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by...


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50347712
PNG
(CHEMBL1802467)
Show SMILES Oc1ccc(C=C2CN(CC(=O)c3ccccc3)CC(=Cc3ccc(O)c(Br)c3)C2=O)cc1Br
Show InChI InChI=1S/C27H21Br2NO4/c28-22-12-17(6-8-24(22)31)10-20-14-30(16-26(33)19-4-2-1-3-5-19)15-21(27(20)34)11-18-7-9-25(32)23(29)13-18/h1-13,31-32H,14-16H2
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n/an/a 1.49E+5n/an/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of SET7-mediated methylation of histone H3 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2
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n/an/a>1.50E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SET7/9 (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50347705
PNG
(CHEMBL1802461)
Show SMILES Oc1ccc(\C=C2/CN(Cc3cccc(Cl)c3)C\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br
Show InChI InChI=1S/C26H20Br2ClNO3/c27-22-11-16(4-6-24(22)31)8-19-14-30(13-18-2-1-3-21(29)10-18)15-20(26(19)33)9-17-5-7-25(32)23(28)12-17/h1-12,31-32H,13-15H2/b19-8+,20-9+
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n/an/a 1.74E+5n/an/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of SET7-mediated methylation of histone H3 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50124898
PNG
(CHEMBL3623579)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O5/c1-9-5-6-10(7-13(9)17(21)22)14(18)15-11-3-2-4-12(8-11)16(19)20/h2-8H,1H3,(H,15,18)
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n/an/a 1.90E+5n/an/an/an/an/an/a



Shanghai University

Curated by ChEMBL


Assay Description
Competitive inhibition of SET7 (unknown origin) after 60 mins by AlphaLISA method in presence of SAM


J Med Chem 58: 8166-81 (2015)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50400779
PNG
(CHEMBL2204998)
Show SMILES CC(C)n1ncc2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C29H35N7O2/c1-18(2)36-26-14-22(21-6-7-27(30-15-21)35-10-8-34(5)9-11-35)13-23(25(26)17-32-36)28(37)31-16-24-19(3)12-20(4)33-29(24)38/h6-7,12-15,17-18H,8-11,16H2,1-5H3,(H,31,37)(H,33,38)
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n/an/a 2.14E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SET7 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50347706
PNG
(CHEMBL1802459)
Show SMILES Cc1ccc(CN2C\C(=C/c3ccc(O)c(Br)c3)C(=O)\C(C2)=C\c2ccc(O)c(Br)c2)cc1
Show InChI InChI=1S/C27H23Br2NO3/c1-17-2-4-18(5-3-17)14-30-15-21(10-19-6-8-25(31)23(28)12-19)27(33)22(16-30)11-20-7-9-26(32)24(29)13-20/h2-13,31-32H,14-16H2,1H3/b21-10+,22-11+
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n/an/a>3.33E+5n/an/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of SET7-mediated methylation of histone H3 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50347708
PNG
(CHEMBL1802462)
Show SMILES Oc1ccc(\C=C2/CN(Cc3ccc(Cl)cc3)C\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br
Show InChI InChI=1S/C26H20Br2ClNO3/c27-22-11-17(3-7-24(22)31)9-19-14-30(13-16-1-5-21(29)6-2-16)15-20(26(19)33)10-18-4-8-25(32)23(28)12-18/h1-12,31-32H,13-15H2/b19-9+,20-10+
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n/an/a>6.00E+5n/an/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of SET7-mediated methylation of histone H3 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50347709
PNG
(CHEMBL1802457)
Show SMILES Cc1ccccc1CN1C\C(=C/c2ccc(O)c(Br)c2)C(=O)\C(C1)=C\c1ccc(O)c(Br)c1
Show InChI InChI=1S/C27H23Br2NO3/c1-17-4-2-3-5-20(17)14-30-15-21(10-18-6-8-25(31)23(28)12-18)27(33)22(16-30)11-19-7-9-26(32)24(29)13-19/h2-13,31-32H,14-16H2,1H3/b21-10+,22-11+
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n/an/a>6.67E+5n/an/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of SET7-mediated methylation of histone H3 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50347704
PNG
(CHEMBL1802458)
Show SMILES Cc1cccc(CN2C\C(=C/c3ccc(O)c(Br)c3)C(=O)\C(C2)=C\c2ccc(O)c(Br)c2)c1
Show InChI InChI=1S/C27H23Br2NO3/c1-17-3-2-4-20(9-17)14-30-15-21(10-18-5-7-25(31)23(28)12-18)27(33)22(16-30)11-19-6-8-26(32)24(29)13-19/h2-13,31-32H,14-16H2,1H3/b21-10+,22-11+
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n/an/a>6.67E+5n/an/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of SET7-mediated methylation of histone H3 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50347707
PNG
(CHEMBL1802465)
Show SMILES Oc1ccc(\C=C2/CN(CCc3ccccc3)C\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br
Show InChI InChI=1S/C27H23Br2NO3/c28-23-14-19(6-8-25(23)31)12-21-16-30(11-10-18-4-2-1-3-5-18)17-22(27(21)33)13-20-7-9-26(32)24(29)15-20/h1-9,12-15,31-32H,10-11,16-17H2/b21-12+,22-13+
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n/an/a>6.67E+5n/an/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of SET7-mediated methylation of histone H3 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50347703
PNG
(CHEMBL261261)
Show SMILES Oc1ccc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br
Show InChI InChI=1S/C26H21Br2NO3/c27-22-12-18(6-8-24(22)30)10-20-15-29(14-17-4-2-1-3-5-17)16-21(26(20)32)11-19-7-9-25(31)23(28)13-19/h1-13,30-31H,14-16H2/b20-10+,21-11+
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n/an/a>6.67E+5n/an/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of SET7-mediated methylation of histone H3 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50347710
PNG
(CHEMBL1802466)
Show SMILES Oc1ccc(\C=C2/CN(CCCc3ccccc3)C\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br
Show InChI InChI=1S/C28H25Br2NO3/c29-24-15-20(8-10-26(24)32)13-22-17-31(12-4-7-19-5-2-1-3-6-19)18-23(28(22)34)14-21-9-11-27(33)25(30)16-21/h1-3,5-6,8-11,13-16,32-33H,4,7,12,17-18H2/b22-13+,23-14+
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n/an/a>6.67E+5n/an/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of SET7-mediated methylation of histone H3 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens)
BDBM50347711
PNG
(CHEMBL1802460)
Show SMILES Oc1ccc(\C=C2/CN(Cc3ccccc3Cl)C\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br
Show InChI InChI=1S/C26H20Br2ClNO3/c27-21-11-16(5-7-24(21)31)9-19-14-30(13-18-3-1-2-4-23(18)29)15-20(26(19)33)10-17-6-8-25(32)22(28)12-17/h1-12,31-32H,13-15H2/b19-9+,20-10+
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Article
PubMed
n/an/a>6.67E+5n/an/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of SET7-mediated methylation of histone H3 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine


Citation and Details
More data for this
Ligand-Target Pair