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BDBM50158094 CHEMBL3780926

SMILES: NCCN1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=PCNDXYHWLSHXMV-UHFFFAOYSA-N

Data: 7 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 8 hits for monomerid = 50158094   
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
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged human PRMT6 expressed in HEK293 cells assessed as reduction in H3R2 global methylation incubated for 20 hrs by Western blot...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT1 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/an/a 970n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells by ITC method


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of CARM1 (unknown origin) using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation p...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT4 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT3 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human PRMT8 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity as...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50158094
PNG
(CHEMBL3780926)
Show SMILES NCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 230n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-...


J Med Chem 59: 1176-83 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2Z11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)