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Target
Sequence
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Ki
IC50
Kd
EC50
Rate constants
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ΔH°
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Ki
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null
SMILES:
COc1cc(ccn1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12
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 = 50603029
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
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human))
BDBM50603029
(CHEMBL5206767)
Show SMILES
COc1cc(ccn1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
637
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114080
BindingDB Entry DOI:
10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human))
BDBM50603029
(CHEMBL5206767)
Show SMILES
COc1cc(ccn1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.84E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114080
BindingDB Entry DOI:
10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human))
BDBM50603029
(CHEMBL5206767)
Show SMILES
COc1cc(ccn1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114080
BindingDB Entry DOI:
10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human))
BDBM50603029
(CHEMBL5206767)
Show SMILES
COc1cc(ccn1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
51
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114080
BindingDB Entry DOI:
10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
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