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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone-arginine methyltransferase CARM1' and Ligand = 'BDBM50532867'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50532867
PNG
(CHEMBL4518126)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2ccc(F)cc2)c(C)c1 |r|
Show InChI InChI=1S/C17H19FN2O2.ClH/c1-11-9-13(10-20-17(21)12(2)19)3-8-16(11)22-15-6-4-14(18)5-7-15;/h3-9,12H,10,19H2,1-2H3,(H,20,21);1H/t12-;/m0./s1
PDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full-length Halo-tagged human CARM1 (1 to 608 residues) expressed in 293-F cells using [3H]-SAM and biotinylated histone peptides by sc...


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
BindingDB Entry DOI: 10.7270/Q2445QZC
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50532867
PNG
(CHEMBL4518126)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2ccc(F)cc2)c(C)c1 |r|
Show InChI InChI=1S/C17H19FN2O2.ClH/c1-11-9-13(10-20-17(21)12(2)19)3-8-16(11)22-15-6-4-14(18)5-7-15;/h3-9,12H,10,19H2,1-2H3,(H,20,21);1H/t12-;/m0./s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full-length Halo-tagged human CARM1 (1 to 608 residues) expressed in 293-F cells using [3H]-SAM and biotinylated histone peptides by sc...


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
BindingDB Entry DOI: 10.7270/Q2445QZC
More data for this
Ligand-Target Pair