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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with Target = 'SET domain-containing protein 7/9 (Set7/9)' 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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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


Citation and Details
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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


Citation and Details
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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)


Citation and Details
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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


Citation and Details
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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


Citation and Details
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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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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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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


Citation and Details
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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


Citation and Details
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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


Citation and Details
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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


Citation and Details
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
BDBM225230
PNG
(EED226)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research



Assay Description
All HMT reactions were performed as described previously [Nasveschuk et al., ACS Med. Chem. Lett., 5:378-383].


Citation and Details
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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


Citation and Details
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
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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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