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Target
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null
SMILES:
Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Br)ccc3-n12
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 = 50599953
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
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2
(Homo sapiens (Human))
BDBM50599953
(CHEMBL1451229)
Show SMILES
Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Br)ccc3-n12 |t:6|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
0.400
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128637
BindingDB Entry DOI:
10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human))
BDBM50599953
(CHEMBL1451229)
Show SMILES
Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Br)ccc3-n12 |t:6|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
0.5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128637
BindingDB Entry DOI:
10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human))
BDBM50599953
(CHEMBL1451229)
Show SMILES
Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Br)ccc3-n12 |t:6|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
0.600
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128637
BindingDB Entry DOI:
10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2
(Homo sapiens (Human))
BDBM50599953
(CHEMBL1451229)
Show SMILES
Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Br)ccc3-n12 |t:6|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128637
BindingDB Entry DOI:
10.7270/Q24B35B0
More data for this
Ligand-Target Pair
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