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BDBM50505581 CHEMBL4569420

SMILES: COc1cc2c(cc1OCCCN1Cc3ccccc3C1)N=C(N)C21CCCC1

InChI Key: InChIKey=FNUGLLHUCXZYAU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50505581   
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-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50505581
PNG
(CHEMBL4569420)
Show SMILES COc1cc2c(cc1OCCCN1Cc3ccccc3C1)N=C(N)C21CCCC1 |t:24|
Show InChI InChI=1S/C24H29N3O2/c1-28-21-13-19-20(26-23(25)24(19)9-4-5-10-24)14-22(21)29-12-6-11-27-15-17-7-2-3-8-18(17)16-27/h2-3,7-8,13-14H,4-6,9-12,15-16H2,1H3,(H2,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin) by scintillation proximity Assay


J Med Chem 62: 9008-9025 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00562
More data for this
Ligand-Target Pair
Spindlin-1


(Homo sapiens)
BDBM50505581
PNG
(CHEMBL4569420)
Show SMILES COc1cc2c(cc1OCCCN1Cc3ccccc3C1)N=C(N)C21CCCC1 |t:24|
Show InChI InChI=1S/C24H29N3O2/c1-28-21-13-19-20(26-23(25)24(19)9-4-5-10-24)14-22(21)29-12-6-11-27-15-17-7-2-3-8-18(17)16-27/h2-3,7-8,13-14H,4-6,9-12,15-16H2,1H3,(H2,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 660n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...


J Med Chem 62: 9008-9025 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00562
More data for this
Ligand-Target Pair