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BDBM50070950 CHEMBL3409562

SMILES: [I-].CCCCN1\C(=C\C=C(/Br)\C=C\C2=[N+](CCCC)c3ccc(Br)cc3C2(C)C)C(C)(C)c2cc(Br)ccc12

InChI Key: InChIKey=KHKXMOVZMJLISS-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50070950   
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))
BDBM50070950
PNG
(CHEMBL3409562)
Show SMILES [I-].CCCCN1\C(=C\C=C(/Br)\C=C\C2=[N+](CCCC)c3ccc(Br)cc3C2(C)C)C(C)(C)c2cc(Br)ccc12 |c:12|
Show InChI InChI=1S/C33H40Br3N2/c1-7-9-19-37-28-15-11-24(35)21-26(28)32(3,4)30(37)17-13-23(34)14-18-31-33(5,6)27-22-25(36)12-16-29(27)38(31)20-10-8-2/h11-18,21-22H,7-10,19-20H2,1-6H3/q+1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.15E+4n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged CARM1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50070950
PNG
(CHEMBL3409562)
Show SMILES [I-].CCCCN1\C(=C\C=C(/Br)\C=C\C2=[N+](CCCC)c3ccc(Br)cc3C2(C)C)C(C)(C)c2cc(Br)ccc12 |c:12|
Show InChI InChI=1S/C33H40Br3N2/c1-7-9-19-37-28-15-11-24(35)21-26(28)32(3,4)30(37)17-13-23(34)14-18-31-33(5,6)27-22-25(36)12-16-29(27)38(31)20-10-8-2/h11-18,21-22H,7-10,19-20H2,1-6H3/q+1
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.38E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50070950
PNG
(CHEMBL3409562)
Show SMILES [I-].CCCCN1\C(=C\C=C(/Br)\C=C\C2=[N+](CCCC)c3ccc(Br)cc3C2(C)C)C(C)(C)c2cc(Br)ccc12 |c:12|
Show InChI InChI=1S/C33H40Br3N2/c1-7-9-19-37-28-15-11-24(35)21-26(28)32(3,4)30(37)17-13-23(34)14-18-31-33(5,6)27-22-25(36)12-16-29(27)38(31)20-10-8-2/h11-18,21-22H,7-10,19-20H2,1-6H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.54E+4n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT5 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 8 (PRMT8)


(Homo sapiens (Human))
BDBM50070950
PNG
(CHEMBL3409562)
Show SMILES [I-].CCCCN1\C(=C\C=C(/Br)\C=C\C2=[N+](CCCC)c3ccc(Br)cc3C2(C)C)C(C)(C)c2cc(Br)ccc12 |c:12|
Show InChI InChI=1S/C33H40Br3N2/c1-7-9-19-37-28-15-11-24(35)21-26(28)32(3,4)30(37)17-13-23(34)14-18-31-33(5,6)27-22-25(36)12-16-29(27)38(31)20-10-8-2/h11-18,21-22H,7-10,19-20H2,1-6H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.49E+4n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT8 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair