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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50122803'   
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


(Homo sapiens (Human))
BDBM50122803
PNG
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)
Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
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Article
PubMed
59n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone (0.3 nM) from CHO cells of human Dopamine receptor D3


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122803
PNG
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)
Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
120n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for rat Dopamine receptor D3


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair