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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50010294'   
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))
BDBM50010294
PNG
((R)6-({2-[4-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylami...)
Show SMILES CCCN(CCc1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H29N5O4/c1-2-15-31(21-10-11-22-19(17-21)4-3-5-25(22)33)16-14-18-6-8-20(9-7-18)28-23-12-13-24(32(34)35)27-26(23)29-36-30-27/h3-9,12-13,21,28,33H,2,10-11,14-17H2,1H3
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PC cid
PC sid
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0.300n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010294
PNG
((R)6-({2-[4-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylami...)
Show SMILES CCCN(CCc1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H29N5O4/c1-2-15-31(21-10-11-22-19(17-21)4-3-5-25(22)33)16-14-18-6-8-20(9-7-18)28-23-12-13-24(32(34)35)27-26(23)29-36-30-27/h3-9,12-13,21,28,33H,2,10-11,14-17H2,1H3
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PC cid
PC sid
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PubMed
0.450n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL




J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010294
PNG
((R)6-({2-[4-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylami...)
Show SMILES CCCN(CCc1ccc(Nc2ccc([N+]([O-])=O)c3n[o+][n-]c23)cc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C27H29N5O4/c1-2-15-31(21-10-11-22-19(17-21)4-3-5-25(22)33)16-14-18-6-8-20(9-7-18)28-23-12-13-24(32(34)35)27-26(23)29-36-30-27/h3-9,12-13,21,28,33H,2,10-11,14-17H2,1H3
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
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3.20n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


J Med Chem 34: 3235-41 (1991)


BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair