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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50021819'   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021819
PNG
(CHEMBL3298828)
Show SMILES COc1nc2sc(C(=O)NCCCCCCN3CCC(CC3)c3ccc(Cl)cc3)c(N)c2c(C)c1Cl
Show InChI InChI=1S/C27H34Cl2N4O2S/c1-17-21-23(30)24(36-27(21)32-26(35-2)22(17)29)25(34)31-13-5-3-4-6-14-33-15-11-19(12-16-33)18-7-9-20(28)10-8-18/h7-10,19H,3-6,11-16,30H2,1-2H3,(H,31,34)
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PC sid
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Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021819
PNG
(CHEMBL3298828)
Show SMILES COc1nc2sc(C(=O)NCCCCCCN3CCC(CC3)c3ccc(Cl)cc3)c(N)c2c(C)c1Cl
Show InChI InChI=1S/C27H34Cl2N4O2S/c1-17-21-23(30)24(36-27(21)32-26(35-2)22(17)29)25(34)31-13-5-3-4-6-14-33-15-11-19(12-16-33)18-7-9-20(28)10-8-18/h7-10,19H,3-6,11-16,30H2,1-2H3,(H,31,34)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 5.5n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Partial agonist activity at human D2L receptor expressed in FlpIn CHO cells assessed as induction of ERK1/2 phosphorylation by AlphaScreen assay


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair