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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50122048'   
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))
BDBM50122048
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,3-dichloro-ph...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

Similars

PubMed
0.620n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 of rat using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50122048
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,3-dichloro-ph...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
1.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50122048
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,3-dichloro-ph...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
1.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by MicroBeta microplate counting method


J Med Chem 60: 580-593 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01148
BindingDB Entry DOI: 10.7270/Q2PV6NVS
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50122048
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,3-dichloro-ph...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from D3 receptor


J Med Chem 55: 6687-8 (2012)


Article DOI: 10.1021/jm301017v
BindingDB Entry DOI: 10.7270/Q2639QVT
More data for this
Ligand-Target Pair