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BDBM50396016 CHEMBL2169918

SMILES: N[C@@H](CCCN(CCI)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O

InChI Key: InChIKey=GLCOSOCNOCATCH-GMDRLUGNSA-N

Data: 5 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50396016   
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))
BDBM50396016
PNG
(CHEMBL2169918)
Show SMILES N[C@@H](CCCN(CCI)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O
Show InChI InChI=1S/C24H32IN7O5/c25-8-10-31(9-4-7-16(26)24(35)36)12-17-19(33)20(34)23(37-17)32-14-30-18-21(28-13-29-22(18)32)27-11-15-5-2-1-3-6-15/h1-3,5-6,13-14,16-17,19-20,23,33-34H,4,7-12,26H2,(H,35,36)(H,27,28,29)/t16-,17+,19+,20+,23+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H1


(Homo sapiens)
BDBM50396016
PNG
(CHEMBL2169918)
Show SMILES N[C@@H](CCCN(CCI)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O
Show InChI InChI=1S/C24H32IN7O5/c25-8-10-31(9-4-7-16(26)24(35)36)12-17-19(33)20(34)23(37-17)32-14-30-18-21(28-13-29-22(18)32)27-11-15-5-2-1-3-6-15/h1-3,5-6,13-14,16-17,19-20,23,33-34H,4,7-12,26H2,(H,35,36)(H,27,28,29)/t16-,17+,19+,20+,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Histone H3-K79 methyltransferase (DOT1L)


(Homo sapiens (Human))
BDBM50396016
PNG
(CHEMBL2169918)
Show SMILES N[C@@H](CCCN(CCI)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O
Show InChI InChI=1S/C24H32IN7O5/c25-8-10-31(9-4-7-16(26)24(35)36)12-17-19(33)20(34)23(37-17)32-14-30-18-21(28-13-29-22(18)32)27-11-15-5-2-1-3-6-15/h1-3,5-6,13-14,16-17,19-20,23,33-34H,4,7-12,26H2,(H,35,36)(H,27,28,29)/t16-,17+,19+,20+,23+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/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
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50396016
PNG
(CHEMBL2169918)
Show SMILES N[C@@H](CCCN(CCI)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O
Show InChI InChI=1S/C24H32IN7O5/c25-8-10-31(9-4-7-16(26)24(35)36)12-17-19(33)20(34)23(37-17)32-14-30-18-21(28-13-29-22(18)32)27-11-15-5-2-1-3-6-15/h1-3,5-6,13-14,16-17,19-20,23,33-34H,4,7-12,26H2,(H,35,36)(H,27,28,29)/t16-,17+,19+,20+,23+/m0/s1
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50396016
PNG
(CHEMBL2169918)
Show SMILES N[C@@H](CCCN(CCI)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O
Show InChI InChI=1S/C24H32IN7O5/c25-8-10-31(9-4-7-16(26)24(35)36)12-17-19(33)20(34)23(37-17)32-14-30-18-21(28-13-29-22(18)32)27-11-15-5-2-1-3-6-15/h1-3,5-6,13-14,16-17,19-20,23,33-34H,4,7-12,26H2,(H,35,36)(H,27,28,29)/t16-,17+,19+,20+,23+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair