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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Sent Comments
null
SMILES:
OC(=O)c1ccc2noc(-c3cccc(Oc4ncc(Cl)cc4Cl)c3)c2c1
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
3
hits for monomerid = 50605508
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
Inositol hexakisphosphate kinase 1
(Homo sapiens)
BDBM50605508
(CHEMBL5200214)
Show SMILES
OC(=O)c1ccc2noc(-c3cccc(Oc4ncc(Cl)cc4Cl)c3)c2c1
Show InChI
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
UniChem
Article
PubMed
n/a
n/a
78
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI:
10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 3
(Homo sapiens)
BDBM50605508
(CHEMBL5200214)
Show SMILES
OC(=O)c1ccc2noc(-c3cccc(Oc4ncc(Cl)cc4Cl)c3)c2c1
Show InChI
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
UniChem
Article
PubMed
n/a
n/a
3.09E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI:
10.7270/Q24J0K7J
More data for this
Ligand-Target Pair
Inositol hexakisphosphate kinase 2
(Homo sapiens)
BDBM50605508
(CHEMBL5200214)
Show SMILES
OC(=O)c1ccc2noc(-c3cccc(Oc4ncc(Cl)cc4Cl)c3)c2c1
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
UniChem
Article
PubMed
n/a
n/a
71
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00220
BindingDB Entry DOI:
10.7270/Q24J0K7J
More data for this
Ligand-Target Pair