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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 = 'BDBM50097665'   
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))
BDBM50097665
PNG
(CHEMBL3590077)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H28FN5O2/c1-30-21-7-3-2-6-20(21)28-16-14-27(15-17-28)13-5-4-12-24-22(29)26-25-19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,29)/b26-25+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem 23: 3938-47 (2015)


Article DOI: 10.1016/j.bmc.2014.12.012
BindingDB Entry DOI: 10.7270/Q20K2BBV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50097665
PNG
(CHEMBL3590077)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\N=N\c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H28FN5O2/c1-30-21-7-3-2-6-20(21)28-16-14-27(15-17-28)13-5-4-12-24-22(29)26-25-19-10-8-18(23)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,29)/b26-25+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] Spiperone from human D3 receptor expressed in CHO cells by competitive radioligand binding assay


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
BindingDB Entry DOI: 10.7270/Q2GB27BJ
More data for this
Ligand-Target Pair