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Target
Sequence
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IC50
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EC50
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ΔG°
ΔH°
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null
SMILES:
COc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
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
4
hits for monomerid = 50603923
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Lysine-specific histone demethylase 1A
(Homo sapiens (Human))
BDBM50603923
(CHEMBL5172252)
Show SMILES
COc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.82E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI:
10.7270/Q2154N4T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B
(Homo sapiens (Human))
BDBM50603923
(CHEMBL5172252)
Show SMILES
COc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI:
10.7270/Q2154N4T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A
(Homo sapiens (Human))
BDBM50603923
(CHEMBL5172252)
Show SMILES
COc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.86E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI:
10.7270/Q2154N4T
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 2
(Homo sapiens (Human))
BDBM50603923
(CHEMBL5172252)
Show SMILES
COc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI:
10.7270/Q2154N4T
More data for this
Ligand-Target Pair
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