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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50130290'   
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))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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6n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Psychiatry 3: 123-34 (1998)


Article DOI: 10.1038/sj.mp.4000336
BindingDB Entry DOI: 10.7270/Q2G15ZCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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6n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Neuropsychopharmacology 16: 93 (1997)


Article DOI: 10.1016/S0893-133X(96)00187-X
BindingDB Entry DOI: 10.7270/Q2513WR8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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15.8n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1403-10 (1994)


BindingDB Entry DOI: 10.7270/Q2154FJQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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20n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition constant for in vitro inhibition of [3H]spiperone binding to striatal membranes Dopamine receptor D2


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7JSX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Tested in vitro for its ability to inhibit [3H]spiperone binding to Dopamine receptor D2 in rat striatal membrane


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5HTQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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56n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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63n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 28: 519-26 (2003)


Article DOI: 10.1038/sj.npp.1300027
BindingDB Entry DOI: 10.7270/Q2833QKK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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65n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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68n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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85n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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90n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Ann N Y Acad Sci 537: 435-42 (1988)


Article DOI: 10.1111/j.1749-6632.1988.tb42125.x
BindingDB Entry DOI: 10.7270/Q2X065JH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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270n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Synapse 25: 137-46 (1997)


Article DOI: 10.1002/(SICI)1098-2396(199702)25:2
BindingDB Entry DOI: 10.7270/Q2WH2NH6
More data for this
Ligand-Target Pair