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Compile Data Set for Download or QSAR

Found 8 hits from College of Pharmacy University of Iowa   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.0450n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone


J Med Chem 32: 1959-62 (1989)


Article DOI: 10.1021/jm00128a044
BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT


J Med Chem 32: 1959-62 (1989)


Article DOI: 10.1021/jm00128a044
BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50017514
PNG
(8,11-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dib...)
Show SMILES COc1ccc(OC)c-2c1C[C@H]1N(C)CCc3cccc-2c13
Show InChI InChI=1S/C19H21NO2/c1-20-10-9-12-5-4-6-13-18(12)15(20)11-14-16(21-2)7-8-17(22-3)19(13)14/h4-8,15H,9-11H2,1-3H3/t15-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT


J Med Chem 32: 1959-62 (1989)


Article DOI: 10.1021/jm00128a044
BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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30n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT


J Med Chem 32: 1959-62 (1989)


Article DOI: 10.1021/jm00128a044
BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50017514
PNG
(8,11-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dib...)
Show SMILES COc1ccc(OC)c-2c1C[C@H]1N(C)CCc3cccc-2c13
Show InChI InChI=1S/C19H21NO2/c1-20-10-9-12-5-4-6-13-18(12)15(20)11-14-16(21-2)7-8-17(22-3)19(13)14/h4-8,15H,9-11H2,1-3H3/t15-/m1/s1
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210n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone


J Med Chem 32: 1959-62 (1989)


Article DOI: 10.1021/jm00128a044
BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50017513
PNG
(8,11-Dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dib...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1c(OC)ccc(OC)c-31
Show InChI InChI=1S/C21H25NO2/c1-4-11-22-12-10-14-6-5-7-15-20(14)17(22)13-16-18(23-2)8-9-19(24-3)21(15)16/h5-9,17H,4,10-13H2,1-3H3/t17-/m1/s1
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240n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT


J Med Chem 32: 1959-62 (1989)


Article DOI: 10.1021/jm00128a044
BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50017513
PNG
(8,11-Dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dib...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1c(OC)ccc(OC)c-31
Show InChI InChI=1S/C21H25NO2/c1-4-11-22-12-10-14-6-5-7-15-20(14)17(22)13-16-18(23-2)8-9-19(24-3)21(15)16/h5-9,17H,4,10-13H2,1-3H3/t17-/m1/s1
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770n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone


J Med Chem 32: 1959-62 (1989)


Article DOI: 10.1021/jm00128a044
BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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3.50E+3n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone


J Med Chem 32: 1959-62 (1989)


Article DOI: 10.1021/jm00128a044
BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair