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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50036657   
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
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50066910
PNG
((+/-)7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dih...)
Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H20ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11,15H,7-10,12H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.10n/an/an/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Binding affinity which represents concentration giving half-maximal inhibition of [3H]7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogen...


J Med Chem 41: 3763-72 (1998)


Article DOI: 10.1021/jm9706832
BindingDB Entry DOI: 10.7270/Q2JH3MVJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Binding affinity which represents concentration giving half-maximal inhibition of [3H]7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogen...


J Med Chem 41: 3763-72 (1998)


Article DOI: 10.1021/jm9706832
BindingDB Entry DOI: 10.7270/Q2JH3MVJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50066912
PNG
((+/-)9-(4-Methyl-piperazin-1-yl)-9,10-dihydro-4-th...)
Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccccc12
Show InChI InChI=1S/C17H21N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,15H,9-13H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
57n/an/an/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Binding affinity which represents concentration giving half-maximal inhibition of [3H]7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogen...


J Med Chem 41: 3763-72 (1998)


Article DOI: 10.1021/jm9706832
BindingDB Entry DOI: 10.7270/Q2JH3MVJ
More data for this
Ligand-Target Pair