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BDBM50238541 CHEMBL4092336

SMILES: COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1

InChI Key:

Data: 13 IC50  1 Kd

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 14 hits for monomerid = 50238541   
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 methyltransferase 7 (PRMT7)


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
PDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human kidney renin


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
PDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Nuclear SET domain-containing protein 1 (NSD1)


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Homo sapiens)
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
BRD4/HDAC1


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
PDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/a 987n/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
PDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair