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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
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EC50
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null
SMILES:
Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
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
12
hits for monomerid = 50588339
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-4/beta-1/delta
(Homo sapiens (Human))
BDBM50588339
(CHEMBL5187612)
Show SMILES
Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
195
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI:
10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2
(Homo sapiens (Human))
BDBM50588339
(CHEMBL5187612)
Show SMILES
Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
540
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI:
10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human))
BDBM50588339
(CHEMBL5187612)
Show SMILES
Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
560
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI:
10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human))
BDBM50588339
(CHEMBL5187612)
Show SMILES
Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
2.18E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI:
10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/delta
(Homo sapiens (Human))
BDBM50588339
(CHEMBL5187612)
Show SMILES
Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
4.95E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI:
10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2
(Homo sapiens (Human))
BDBM50588339
(CHEMBL5187612)
Show SMILES
Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
7.56E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI:
10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human))
BDBM50588339
(CHEMBL5187612)
Show SMILES
Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
501
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI:
10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2
(Homo sapiens (Human))
BDBM50588339
(CHEMBL5187612)
Show SMILES
Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7.41E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI:
10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2
(Homo sapiens (Human))
BDBM50588339
(CHEMBL5187612)
Show SMILES
Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
537
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI:
10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta
(Homo sapiens (Human))
BDBM50588339
(CHEMBL5187612)
Show SMILES
Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
182
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI:
10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/delta
(Homo sapiens (Human))
BDBM50588339
(CHEMBL5187612)
Show SMILES
Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.90E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI:
10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human))
BDBM50588339
(CHEMBL5187612)
Show SMILES
Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.19E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI:
10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
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