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Patent code US9303019

Compile Data Set for Download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM215802
PNG
(US9303019, 8)
Show SMILES CC1CN=C(C1)Nc1ccc(Cl)c2CCCc12
Show InChI InChI=1S/C14H17ClN2/c1-9-7-14(16-8-9)17-13-6-5-12(15)10-3-2-4-11(10)13/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.220n/an/an/an/an/an/an/an/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


Citation and Details
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM215803
PNG
(US9303019, 9)
Show SMILES CC1CN=C(C1)Nc1ccc(C)c2CCCc12
Show InChI InChI=1S/C15H20N2/c1-10-8-15(16-9-10)17-14-7-6-11(2)12-4-3-5-13(12)14/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.80n/an/an/an/an/an/an/an/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


Citation and Details
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM215805
PNG
(US9303019, 20)
Show SMILES CC1CCC(Nc2ccc(Cl)c3CCCc23)=N1
Show InChI InChI=1S/C14H17ClN2/c1-9-5-8-14(16-9)17-13-7-6-12(15)10-3-2-4-11(10)13/h6-7,9H,2-5,8H2,1H3,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.80n/an/an/an/an/an/an/an/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


Citation and Details
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM215800
PNG
(US9303019, 1)
Show SMILES CC1CN=C(C1)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C12H15ClN2/c1-8-6-12(14-7-8)15-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
8.10n/an/an/an/an/an/an/an/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


Citation and Details
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM215801
PNG
(US9303019, 5)
Show SMILES CC1CCC(Nc2cccc3CCCc23)=N1
Show InChI InChI=1S/C14H18N2/c1-10-8-9-14(15-10)16-13-7-3-5-11-4-2-6-12(11)13/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
19n/an/an/an/an/an/an/an/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


Citation and Details
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM215804
PNG
(US9303019, 13)
Show SMILES CC1CCC(Nc2ccccc2Cl)=N1
Show InChI InChI=1S/C11H13ClN2/c1-8-6-7-11(13-8)14-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
120n/an/an/an/an/an/an/an/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
Binding assays were performed at 37° C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole ...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM215804
PNG
(US9303019, 13)
Show SMILES CC1CCC(Nc2ccccc2Cl)=N1
Show InChI InChI=1S/C11H13ClN2/c1-8-6-7-11(13-8)14-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/an/an/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
The membrane preparation was prepared as described by Newman-Tancredi, A.; Nicolas, J,-P.; Audinot, V.; Gavaudan, S.; Verriele, L.; Touzard, M.; Chap...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM215805
PNG
(US9303019, 20)
Show SMILES CC1CCC(Nc2ccc(Cl)c3CCCc23)=N1
Show InChI InChI=1S/C14H17ClN2/c1-9-5-8-14(16-9)17-13-7-6-12(15)10-3-2-4-11(10)13/h6-7,9H,2-5,8H2,1H3,(H,16,17)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/an/an/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
The membrane preparation was prepared as described by Newman-Tancredi, A.; Nicolas, J,-P.; Audinot, V.; Gavaudan, S.; Verriele, L.; Touzard, M.; Chap...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM215802
PNG
(US9303019, 8)
Show SMILES CC1CN=C(C1)Nc1ccc(Cl)c2CCCc12
Show InChI InChI=1S/C14H17ClN2/c1-9-7-14(16-8-9)17-13-6-5-12(15)10-3-2-4-11(10)13/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/an/an/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
The membrane preparation was prepared as described by Newman-Tancredi, A.; Nicolas, J,-P.; Audinot, V.; Gavaudan, S.; Verriele, L.; Touzard, M.; Chap...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM215803
PNG
(US9303019, 9)
Show SMILES CC1CN=C(C1)Nc1ccc(C)c2CCCc12
Show InChI InChI=1S/C15H20N2/c1-10-8-15(16-9-10)17-14-7-6-11(2)12-4-3-5-13(12)14/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/an/an/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
The membrane preparation was prepared as described by Newman-Tancredi, A.; Nicolas, J,-P.; Audinot, V.; Gavaudan, S.; Verriele, L.; Touzard, M.; Chap...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM215801
PNG
(US9303019, 5)
Show SMILES CC1CCC(Nc2cccc3CCCc23)=N1
Show InChI InChI=1S/C14H18N2/c1-10-8-9-14(15-10)16-13-7-3-5-11-4-2-6-12(11)13/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,16)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/an/an/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
The membrane preparation was prepared as described by Newman-Tancredi, A.; Nicolas, J,-P.; Audinot, V.; Gavaudan, S.; Verriele, L.; Touzard, M.; Chap...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM215800
PNG
(US9303019, 1)
Show SMILES CC1CN=C(C1)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C12H15ClN2/c1-8-6-12(14-7-8)15-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/an/an/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
The membrane preparation was prepared as described by Newman-Tancredi, A.; Nicolas, J,-P.; Audinot, V.; Gavaudan, S.; Verriele, L.; Touzard, M.; Chap...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%