BindingDB logo
myBDB logout

PubMed code 27031216

Compile data set for download or QSAR
Found 14 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
Nischarin


(RAT)
BDBM50164835
PNG
(CHEMBL3800398)
Show SMILES Cl.Fc1ccc2n(CC3=NCCN3)ccc2c1 |t:7|
Show InChI InChI=1S/C12H12FN3.ClH/c13-10-1-2-11-9(7-10)3-6-16(11)8-12-14-4-5-15-12;/h1-3,6-7H,4-5,8H2,(H,14,15);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164841
PNG
(CHEMBL3798191)
Show SMILES Cl.Brc1cccc2ccn(CC3=NCCN3)c12 |t:10|
Show InChI InChI=1S/C12H12BrN3.ClH/c13-10-3-1-2-9-4-7-16(12(9)10)8-11-14-5-6-15-11;/h1-4,7H,5-6,8H2,(H,14,15);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
79n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164834
PNG
(CHEMBL3798638)
Show SMILES Cl.Brc1cccc2n(CC3=NCCN3)ccc12 |t:8|
Show InChI InChI=1S/C12H12BrN3.ClH/c13-10-2-1-3-11-9(10)4-7-16(11)8-12-14-5-6-15-12;/h1-4,7H,5-6,8H2,(H,14,15);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
468n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164837
PNG
(CHEMBL3800446)
Show SMILES Cl.Fc1ccc2ccn(CC3=NCCN3)c2c1 |t:9|
Show InChI InChI=1S/C12H12FN3.ClH/c13-10-2-1-9-3-6-16(11(9)7-10)8-12-14-4-5-15-12;/h1-3,6-7H,4-5,8H2,(H,14,15);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
789n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164842
PNG
(CHEMBL3798387)
Show SMILES Br.Cc1cccc2ccn(CC3=NCCN3)c12 |t:10|
Show InChI InChI=1S/C13H15N3.BrH/c1-10-3-2-4-11-5-8-16(13(10)11)9-12-14-6-7-15-12;/h2-5,8H,6-7,9H2,1H3,(H,14,15);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164838
PNG
(CHEMBL3797854)
Show SMILES Cl.Clc1ccc2ccn(CC3=NCCN3)c2c1 |t:9|
Show InChI InChI=1S/C12H12ClN3.ClH/c13-10-2-1-9-3-6-16(11(9)7-10)8-12-14-4-5-15-12;/h1-3,6-7H,4-5,8H2,(H,14,15);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.58E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164839
PNG
(CHEMBL3797661)
Show SMILES Cl.Fc1cccc2ccn(CC3=NCCN3)c12 |t:10|
Show InChI InChI=1S/C12H12FN3.ClH/c13-10-3-1-2-9-4-7-16(12(9)10)8-11-14-5-6-15-11;/h1-4,7H,5-6,8H2,(H,14,15);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.63E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164840
PNG
(CHEMBL3799780)
Show SMILES Cl.Clc1cccc2ccn(CC3=NCCN3)c12 |t:10|
Show InChI InChI=1S/C12H12ClN3.ClH/c13-10-3-1-2-9-4-7-16(12(9)10)8-11-14-5-6-15-11;/h1-4,7H,5-6,8H2,(H,14,15);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.03E+4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164836
PNG
(CHEMBL3798967)
Show SMILES Cl.Brc1ccc2n(CC3=NCCN3)ccc2c1 |t:7|
Show InChI InChI=1S/C12H12BrN3.ClH/c13-10-1-2-11-9(7-10)3-6-16(11)8-12-14-4-5-15-12;/h1-3,6-7H,4-5,8H2,(H,14,15);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.05E+4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164833
PNG
(CHEMBL3799346)
Show SMILES Cl.Fc1cccc2n(CC3=NCCN3)ccc12 |t:8|
Show InChI InChI=1S/C12H12FN3.ClH/c13-10-2-1-3-11-9(10)4-7-16(11)8-12-14-5-6-15-12;/h1-4,7H,5-6,8H2,(H,14,15);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.46E+4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164845
PNG
(CHEMBL3799081)
Show SMILES Br.C(Oc1cccc2ccn(CC3=NCCN3)c12)c1ccccc1 |t:11|
Show InChI InChI=1S/C19H19N3O.BrH/c1-2-5-15(6-3-1)14-23-17-8-4-7-16-9-12-22(19(16)17)13-18-20-10-11-21-18;/h1-9,12H,10-11,13-14H2,(H,20,21);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.63E+4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164843
PNG
(CHEMBL3800486)
Show SMILES Cl.CCc1cccc2ccn(CC3=NCCN3)c12 |t:11|
Show InChI InChI=1S/C14H17N3.ClH/c1-2-11-4-3-5-12-6-9-17(14(11)12)10-13-15-7-8-16-13;/h3-6,9H,2,7-8,10H2,1H3,(H,15,16);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.58E+4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164832
PNG
(CHEMBL3797481)
Show SMILES Cl.C(C1=NCCN1)n1ccc2ccccc12 |t:1|
Show InChI InChI=1S/C12H13N3.ClH/c1-2-4-11-10(3-1)5-8-15(11)9-12-13-6-7-14-12;/h1-5,8H,6-7,9H2,(H,13,14);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.14E+4n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50164844
PNG
(CHEMBL3798276)
Show SMILES Br.COc1cccc2ccn(CC3=NCCN3)c12 |t:11|
Show InChI InChI=1S/C13H15N3O.BrH/c1-17-11-4-2-3-10-5-8-16(13(10)11)9-12-14-6-7-15-12;/h2-5,8H,6-7,9H2,1H3,(H,14,15);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.88E+5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting


Eur J Med Chem 115: 406-15 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.026
BindingDB Entry DOI: 10.7270/Q2GH9KVS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%