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BDBM50396017 CHEMBL2172427

SMILES: CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=NJFZSFILXMRKRL-YRGUDCOPSA-N

Data: 6 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50396017   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50396017
PNG
(CHEMBL2172427)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H28IN7O5/c1-21-15-12-16(23-8-22-15)26(9-24-12)17-14(28)13(27)11(31-17)7-25(6-4-19)5-2-3-10(20)18(29)30/h8-11,13-14,17,27-28H,2-7,20H2,1H3,(H,29,30)(H,21,22,23)/t10-,11+,13+,14+,17+/m0/s1
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Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 expressed in Escherichia coli BL21 (DE3) using [3H]-SAM as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H1


(Homo sapiens (Human))
BDBM50396017
PNG
(CHEMBL2172427)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H28IN7O5/c1-21-15-12-16(23-8-22-15)26(9-24-12)17-14(28)13(27)11(31-17)7-25(6-4-19)5-2-3-10(20)18(29)30/h8-11,13-14,17,27-28H,2-7,20H2,1H3,(H,29,30)(H,21,22,23)/t10-,11+,13+,14+,17+/m0/s1
PDB
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KEGG

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antibodypedia
GoogleScholar
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PC sid
UniChem
Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SUV39H1 using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50396017
PNG
(CHEMBL2172427)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H28IN7O5/c1-21-15-12-16(23-8-22-15)26(9-24-12)17-14(28)13(27)11(31-17)7-25(6-4-19)5-2-3-10(20)18(29)30/h8-11,13-14,17,27-28H,2-7,20H2,1H3,(H,29,30)(H,21,22,23)/t10-,11+,13+,14+,17+/m0/s1
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KEGG

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PC cid
PC sid
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PubMed
n/an/a 120n/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
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50396017
PNG
(CHEMBL2172427)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H28IN7O5/c1-21-15-12-16(23-8-22-15)26(9-24-12)17-14(28)13(27)11(31-17)7-25(6-4-19)5-2-3-10(20)18(29)30/h8-11,13-14,17,27-28H,2-7,20H2,1H3,(H,29,30)(H,21,22,23)/t10-,11+,13+,14+,17+/m0/s1
PDB

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PC sid
UniChem
Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50396017
PNG
(CHEMBL2172427)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H28IN7O5/c1-21-15-12-16(23-8-22-15)26(9-24-12)17-14(28)13(27)11(31-17)7-25(6-4-19)5-2-3-10(20)18(29)30/h8-11,13-14,17,27-28H,2-7,20H2,1H3,(H,29,30)(H,21,22,23)/t10-,11+,13+,14+,17+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human DOT1L amino acid 1 to 472 expressed in Escherichia coli BL21 (DE3) using [3H]-SAM as substrate preincubated for 10 min...


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50396017
PNG
(CHEMBL2172427)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H28IN7O5/c1-21-15-12-16(23-8-22-15)26(9-24-12)17-14(28)13(27)11(31-17)7-25(6-4-19)5-2-3-10(20)18(29)30/h8-11,13-14,17,27-28H,2-7,20H2,1H3,(H,29,30)(H,21,22,23)/t10-,11+,13+,14+,17+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of G9a using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
More data for this
Ligand-Target Pair