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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50051116   
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
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))		BDBM50051116
PNG
(CHEMBL3318284)
Show SMILES [H][C@]12[C@@H](C)[C@H](O)C[C@@H](O)[C@@]1(C)C=C(C)[C@H]([C@@H]2\C=C(/C)C(O)=O)C(C)=CC[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C |r,t:12|
Show InChI InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin)

J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))		BDBM50051116
PNG
(CHEMBL3318284)
Show SMILES [H][C@]12[C@@H](C)[C@H](O)C[C@@H](O)[C@@]1(C)C=C(C)[C@H]([C@@H]2\C=C(/C)C(O)=O)C(C)=CC[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C |r,t:12|
Show InChI InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) using H4 (1 to 24) as substrate assessed as incorporation of [3H]-methyl group from [3H-Me]-SAM to peptide subst...

J Med Chem 58: 1596-629 (2015)


Article DOI: 10.1021/jm501234a
BindingDB Entry DOI: 10.7270/Q28K7BS2
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))		BDBM50051116
PNG
(CHEMBL3318284)
Show SMILES [H][C@]12[C@@H](C)[C@H](O)C[C@@H](O)[C@@]1(C)C=C(C)[C@H]([C@@H]2\C=C(/C)C(O)=O)C(C)=CC[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C |r,t:12|
Show InChI InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) using biotinylated-H3 peptide as substrate measured after 1 hr in presence of [3H]-SAM by scintillation proximit...

Eur J Med Chem 166: 351-368 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.069
BindingDB Entry DOI: 10.7270/Q2PZ5D8X
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))		BDBM50051116
PNG
(CHEMBL3318284)
Show SMILES [H][C@]12[C@@H](C)[C@H](O)C[C@@H](O)[C@@]1(C)C=C(C)[C@H]([C@@H]2\C=C(/C)C(O)=O)C(C)=CC[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C |r,t:12|
Show InChI InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1
PDB

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n/an/a 6.50E+3n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human SETD8 catalytic domain expressed in Escherichia coli assessed as reduction in transfer of tritiated methyl group from [3H]SAM to ...

Medchemcomm 5: 1892-1898 (2014)


Article DOI: 10.1039/c4md00317a
BindingDB Entry DOI: 10.7270/Q2FR00M9
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))		BDBM50051116
PNG
(CHEMBL3318284)
Show SMILES [H][C@]12[C@@H](C)[C@H](O)C[C@@H](O)[C@@]1(C)C=C(C)[C@H]([C@@H]2\C=C(/C)C(O)=O)C(C)=CC[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C |r,t:12|
Show InChI InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 6.50E+3n/an/an/an/an/an/a



The Center for Combinatorial Chemistry and Drug Discovery of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) using biotin-labeled histone H4 (1 to 24 residues) as substrate incubated for 1 hr in presence of [3H-Me]SAM by ...

Bioorg Med Chem Lett 26: 4436-4440 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.004
BindingDB Entry DOI: 10.7270/Q27H1P3Z
More data for this
Ligand-Target Pair
N-lysine methyltransferase KMT5A


(Homo sapiens (Human))		BDBM50051116
PNG
(CHEMBL3318284)
Show SMILES [H][C@]12[C@@H](C)[C@H](O)C[C@@H](O)[C@@]1(C)C=C(C)[C@H]([C@@H]2\C=C(/C)C(O)=O)C(C)=CC[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C |r,t:12|
Show InChI InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) using biotin-labeled H4 (1 to 24 residues) as substrate after 1 hr in presence of [3H]SAM by scintillation proxi...

ACS Med Chem Lett 7: 1102-1106 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00303
BindingDB Entry DOI: 10.7270/Q2319XVP
More data for this
Ligand-Target Pair