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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nischarin' and Ligand = 'BDBM50127575'   
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


(Homo sapiens (Human))
BDBM50127575
PNG
(2-(4,5-Dihydro-1H-imidazol-2-yl)-4-methyl-3,4-dihy...)
Show SMILES CN1CC(Oc2ccccc12)C1=NCCN1 |t:13|
Show InChI InChI=1S/C12H15N3O/c1-15-8-11(12-13-6-7-14-12)16-10-5-3-2-4-9(10)15/h2-5,11H,6-8H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.90n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity for imidazoline receptor I-2 in rabbit kidney homogenate (relative to [3H]-Idazoxan radioligand)


J Med Chem 43: 1109-22 (2000)


Article DOI: 10.1021/jm991124t
BindingDB Entry DOI: 10.7270/Q2SB48G9
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM50127575
PNG
(2-(4,5-Dihydro-1H-imidazol-2-yl)-4-methyl-3,4-dihy...)
Show SMILES CN1CC(Oc2ccccc12)C1=NCCN1 |t:13|
Show InChI InChI=1S/C12H15N3O/c1-15-8-11(12-13-6-7-14-12)16-10-5-3-2-4-9(10)15/h2-5,11H,6-8H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
56n/an/an/an/an/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against imidazoline receptor I-1 from rabbit kidney preparation


J Med Chem 46: 1962-79 (2003)


Article DOI: 10.1021/jm021050c
BindingDB Entry DOI: 10.7270/Q22806Z1
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM50127575
PNG
(2-(4,5-Dihydro-1H-imidazol-2-yl)-4-methyl-3,4-dihy...)
Show SMILES CN1CC(Oc2ccccc12)C1=NCCN1 |t:13|
Show InChI InChI=1S/C12H15N3O/c1-15-8-11(12-13-6-7-14-12)16-10-5-3-2-4-9(10)15/h2-5,11H,6-8H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
56n/an/an/an/an/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against imidazoline receptor I-1 from rabbit kidney preparation


J Med Chem 46: 1962-79 (2003)


Article DOI: 10.1021/jm021050c
BindingDB Entry DOI: 10.7270/Q22806Z1
More data for this
Ligand-Target Pair