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SMILES: OC(=O)c1cnc(SCC2CCCCC2)[nH]c1=O

InChI Key:

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 7 hits for monomerid = 50580322   
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
Hypoxia-inducible factor 1-alpha inhibitor


(Homo sapiens (Human))
BDBM50580322
PNG
(CHEMBL5072902)
Show SMILES OC(=O)c1cnc(SCC2CCCCC2)[nH]c1=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FIH using HLEVVKLLLEAGADVNAQDK-CONH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 15 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50580322
PNG
(CHEMBL5072902)
Show SMILES OC(=O)c1cnc(SCC2CCCCC2)[nH]c1=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.79E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM2A (M1 to P517 residues) expressed in insect cells using H3K36(Me2) as substrate preincubated for 15 mi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580322
PNG
(CHEMBL5072902)
Show SMILES OC(=O)c1cnc(SCC2CCCCC2)[nH]c1=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.76E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50580322
PNG
(CHEMBL5072902)
Show SMILES OC(=O)c1cnc(SCC2CCCCC2)[nH]c1=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.81E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human KDM6B (D1141 to R1641 residues) expressed in Escherichia coli using H3K27(Me3) as substrate preincubated for 15 mins followed by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50580322
PNG
(CHEMBL5072902)
Show SMILES OC(=O)c1cnc(SCC2CCCCC2)[nH]c1=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.03E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4D (M1 to G373 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50580322
PNG
(CHEMBL5072902)
Show SMILES OC(=O)c1cnc(SCC2CCCCC2)[nH]c1=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM5B (L882 to S1761 residues) expressed in insect cells using H3K4(Me3) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50580322
PNG
(CHEMBL5072902)
Show SMILES OC(=O)c1cnc(SCC2CCCCC2)[nH]c1=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.08E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM4A (M1 to L359 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair