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BDBM50532879 CHEMBL3347611

SMILES: C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2[nH]ccc12)C(F)(F)F

InChI Key: InChIKey=QGSUJFJNIKHZDK-ZDUSSCGKSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50532879   
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))
BDBM50532879
PNG
(CHEMBL3347611)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2[nH]ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F3N7O2/c1-13(28)21(35)30-12-14-4-2-5-15(10-14)34-19(11-20(33-34)24(25,26)27)23-32-31-22(36-23)17-6-3-7-18-16(17)8-9-29-18/h2-11,13,29H,12,28H2,1H3,(H,30,35)/t13-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged CARM1 (unknown origin) using histone H3 substrate and [3H]SAM by scintillation counting method


J Med Chem 59: 6838-47 (2016)


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


(Homo sapiens (Human))
BDBM50532879
PNG
(CHEMBL3347611)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2[nH]ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F3N7O2/c1-13(28)21(35)30-12-14-4-2-5-15(10-14)34-19(11-20(33-34)24(25,26)27)23-32-31-22(36-23)17-6-3-7-18-16(17)8-9-29-18/h2-11,13,29H,12,28H2,1H3,(H,30,35)/t13-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged CARM1 (unknown origin) using histone H3 substrate and [3H]SAM by scintillation counting method


J Med Chem 59: 6838-47 (2016)


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