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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dopamine receptor' and Ligand = 'BDBM50028421'   
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
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50028421
PNG
(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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Article
PubMed
0.620n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




Nature 347: 146-51 (1990)


Article DOI: 10.1038/347146a0
BindingDB Entry DOI: 10.7270/Q2CC0Z5N
More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50028421
PNG
(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
UniProtKB/SwissProt

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KEGG
PC cid
PC sid
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor was determined in bovine anterior pituitary membrane using [3H]dihydroergocriptine as the radioli...


J Med Chem 26: 522-7 (1983)


Article DOI: 10.1021/jm00358a012
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50028421
PNG
(9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
MMDB

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UniProtKB/SwissProt

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KEGG
PC cid
PC sid
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Article
PubMed
n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor was determined in rat striatal membrane using [3H]spiroperidol as the radioligand


J Med Chem 26: 522-7 (1983)


Article DOI: 10.1021/jm00358a012
More data for this
Ligand-Target Pair