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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50443019   
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
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50443019
PNG
(CHEMBL3087502)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r,t:23|
Show InChI InChI=1S/C28H40N8O3/c1-17(2)35(12-6-11-30-27(39)34-20-9-7-19(8-10-20)28(3,4)5)14-18-13-21(24(38)23(18)37)36-16-33-22-25(29)31-15-32-26(22)36/h7-10,13,15-17,21,23-24,37-38H,6,11-12,14H2,1-5H3,(H2,29,31,32)(H2,30,34,39)/t21-,23-,24+/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DOT1L (catalytic domain 1 to 472) using [3H]-SAM by scintillation containing


Medchemcomm 4: 822-826 (2013)


Article DOI: 10.1039/c3md00021d
BindingDB Entry DOI: 10.7270/Q2R49TR1
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50443019
PNG
(CHEMBL3087502)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r,t:23|
Show InChI InChI=1S/C28H40N8O3/c1-17(2)35(12-6-11-30-27(39)34-20-9-7-19(8-10-20)28(3,4)5)14-18-13-21(24(38)23(18)37)36-16-33-22-25(29)31-15-32-26(22)36/h7-10,13,15-17,21,23-24,37-38H,6,11-12,14H2,1-5H3,(H2,29,31,32)(H2,30,34,39)/t21-,23-,24+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
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1.30n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactor


J Med Chem 56: 8972-83 (2013)


Article DOI: 10.1021/jm4007752
BindingDB Entry DOI: 10.7270/Q2D50PDQ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H1


(Homo sapiens (Human))
BDBM50443019
PNG
(CHEMBL3087502)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r,t:23|
Show InChI InChI=1S/C28H40N8O3/c1-17(2)35(12-6-11-30-27(39)34-20-9-7-19(8-10-20)28(3,4)5)14-18-13-21(24(38)23(18)37)36-16-33-22-25(29)31-15-32-26(22)36/h7-10,13,15-17,21,23-24,37-38H,6,11-12,14H2,1-5H3,(H2,29,31,32)(H2,30,34,39)/t21-,23-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SUV39H1 (unknown origin)


Medchemcomm 4: 822-826 (2013)


Article DOI: 10.1039/c3md00021d
BindingDB Entry DOI: 10.7270/Q2R49TR1
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Homo sapiens)
BDBM50443019
PNG
(CHEMBL3087502)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r,t:23|
Show InChI InChI=1S/C28H40N8O3/c1-17(2)35(12-6-11-30-27(39)34-20-9-7-19(8-10-20)28(3,4)5)14-18-13-21(24(38)23(18)37)36-16-33-22-25(29)31-15-32-26(22)36/h7-10,13,15-17,21,23-24,37-38H,6,11-12,14H2,1-5H3,(H2,29,31,32)(H2,30,34,39)/t21-,23-,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin)


Medchemcomm 4: 822-826 (2013)


Article DOI: 10.1039/c3md00021d
BindingDB Entry DOI: 10.7270/Q2R49TR1
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50443019
PNG
(CHEMBL3087502)
Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r,t:23|
Show InChI InChI=1S/C28H40N8O3/c1-17(2)35(12-6-11-30-27(39)34-20-9-7-19(8-10-20)28(3,4)5)14-18-13-21(24(38)23(18)37)36-16-33-22-25(29)31-15-32-26(22)36/h7-10,13,15-17,21,23-24,37-38H,6,11-12,14H2,1-5H3,(H2,29,31,32)(H2,30,34,39)/t21-,23-,24+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CARM1 (unknown origin)


Medchemcomm 4: 822-826 (2013)


Article DOI: 10.1039/c3md00021d
BindingDB Entry DOI: 10.7270/Q2R49TR1
More data for this
Ligand-Target Pair