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BDBM50070951 CHEMBL3409558

SMILES: [I-].C(CN1\C(Sc2c1ccc1ccccc21)=C\C=C\c1sc2c(ccc3ccccc23)[n+]1CCCc1ccccc1)Cc1ccccc1

InChI Key: InChIKey=XKEWYQMJEOUVRY-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 = 50070951   
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))
BDBM50070951
PNG
(CHEMBL3409558)
Show SMILES [I-].C(CN1\C(Sc2c1ccc1ccccc21)=C\C=C\c1sc2c(ccc3ccccc23)[n+]1CCCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C43H37N2S2/c1-3-14-32(15-4-1)18-12-30-44-38-28-26-34-20-7-9-22-36(34)42(38)46-40(44)24-11-25-41-45(31-13-19-33-16-5-2-6-17-33)39-29-27-35-21-8-10-23-37(35)43(39)47-41/h1-11,14-17,20-29H,12-13,18-19,30-31H2/q+1
PDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.80E+3n/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))
BDBM50070951
PNG
(CHEMBL3409558)
Show SMILES [I-].C(CN1\C(Sc2c1ccc1ccccc21)=C\C=C\c1sc2c(ccc3ccccc23)[n+]1CCCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C43H37N2S2/c1-3-14-32(15-4-1)18-12-30-44-38-28-26-34-20-7-9-22-36(34)42(38)46-40(44)24-11-25-41-45(31-13-19-33-16-5-2-6-17-33)39-29-27-35-21-8-10-23-37(35)43(39)47-41/h1-11,14-17,20-29H,12-13,18-19,30-31H2/q+1
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.05E+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))
BDBM50070951
PNG
(CHEMBL3409558)
Show SMILES [I-].C(CN1\C(Sc2c1ccc1ccccc21)=C\C=C\c1sc2c(ccc3ccccc23)[n+]1CCCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C43H37N2S2/c1-3-14-32(15-4-1)18-12-30-44-38-28-26-34-20-7-9-22-36(34)42(38)46-40(44)24-11-25-41-45(31-13-19-33-16-5-2-6-17-33)39-29-27-35-21-8-10-23-37(35)43(39)47-41/h1-11,14-17,20-29H,12-13,18-19,30-31H2/q+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.04E+3n/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))
BDBM50070951
PNG
(CHEMBL3409558)
Show SMILES [I-].C(CN1\C(Sc2c1ccc1ccccc21)=C\C=C\c1sc2c(ccc3ccccc23)[n+]1CCCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C43H37N2S2/c1-3-14-32(15-4-1)18-12-30-44-38-28-26-34-20-7-9-22-36(34)42(38)46-40(44)24-11-25-41-45(31-13-19-33-16-5-2-6-17-33)39-29-27-35-21-8-10-23-37(35)43(39)47-41/h1-11,14-17,20-29H,12-13,18-19,30-31H2/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.84E+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