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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'humber' and Initial = 'l'   
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


(Rattus norvegicus (rat))
BDBM50017519
PNG
(1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against dopamine receptor D2 from homogenized rat brain, using [3H]spiperone as the radioligand


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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n/an/a 4.5n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against 5-hydroxytryptamine 1A receptor receptor from homogenized rat brain, using [3H]8-OH-DPAT as the radioligand


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50017519
PNG
(1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against 5-hydroxytryptamine 1A receptor from homogenized rat brain, using [3H]-8-OH-DPAT as the radioligand


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50044236
PNG
(CHEMBL303339 | Dimethyl-(R)-6,7,8,9-tetrahydro-3H-...)
Show SMILES CN(C)[C@@H]1CCc2ccc3[nH]ccc3c2C1
Show InChI InChI=1S/C14H18N2/c1-16(2)11-5-3-10-4-6-14-12(7-8-15-14)13(10)9-11/h4,6-8,11,15H,3,5,9H2,1-2H3/t11-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against 5-hydroxytryptamine 1A receptor from homogenized rat brain, using [3H]8-OH-DPAT as the radioligand.


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 35n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine lens aldose reductase


J Med Chem 32: 757-65 (1989)


BindingDB Entry DOI: 10.7270/Q22B8X0W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine lens aldose reductase with DL-glyceraldehyde as substrate


J Med Chem 27: 255-6 (1984)


BindingDB Entry DOI: 10.7270/Q2QR4W4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(RAT)
BDBM50017519
PNG
(1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
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n/an/a 69n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against Dopamine receptor D1 from homogenized rat brain, using [3H]SCH-23390 as the radioligand


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50017520
PNG
((+/-)-Dimethyl-(6,7,8,9-tetrahydro-3H-benzo[e]indo...)
Show SMILES CN(C)C1CCc2ccc3[nH]ccc3c2C1
Show InChI InChI=1S/C14H18N2/c1-16(2)11-5-3-10-4-6-14-12(7-8-15-14)13(10)9-11/h4,6-8,11,15H,3,5,9H2,1-2H3
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n/an/a 82n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against 5-hydroxytryptamine 1A receptor from homogenized rat brain, using [3H]8-OH-DPAT as the radioligand.


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50044235
PNG
(CHEMBL292274 | Dimethyl-(S)-6,7,8,9-tetrahydro-3H-...)
Show SMILES CN(C)[C@H]1CCc2ccc3[nH]ccc3c2C1
Show InChI InChI=1S/C14H18N2/c1-16(2)11-5-3-10-4-6-14-12(7-8-15-14)13(10)9-11/h4,6-8,11,15H,3,5,9H2,1-2H3/t11-/m0/s1
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n/an/a 244n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against 5-hydroxytryptamine 1A receptor from homogenized rat brain, using [3H]8-OH-DPAT as the radioligand.


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50016901
PNG
((2-Methyl-3-oxo-3H-phenalen-1-yl)-acetic acid | CH...)
Show SMILES Cc1c(O)c2cccc3cccc(c23)c1=CC(O)=O |w:15.18|
Show InChI InChI=1S/C16H12O3/c1-9-13(8-14(17)18)11-6-2-4-10-5-3-7-12(15(10)11)16(9)19/h2-8,19H,1H3,(H,17,18)
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n/an/a 270n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine lens aldose reductase


J Med Chem 32: 757-65 (1989)


BindingDB Entry DOI: 10.7270/Q22B8X0W
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 540n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (or polyol accumulation) in isolated rat sciatic nerve by compound at 10e-5 M concentration


J Med Chem 32: 757-65 (1989)


BindingDB Entry DOI: 10.7270/Q22B8X0W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50016902
PNG
(CHEMBL168106 | [Methyl-(naphthalene-1-carbothioyl)...)
Show SMILES CN(CC(O)=O)C(=S)c1cccc2ccccc12
Show InChI InChI=1S/C14H13NO2S/c1-15(9-13(16)17)14(18)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H,16,17)
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n/an/a 730n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine lens aldose reductase


J Med Chem 32: 757-65 (1989)


BindingDB Entry DOI: 10.7270/Q22B8X0W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50044236
PNG
(CHEMBL303339 | Dimethyl-(R)-6,7,8,9-tetrahydro-3H-...)
Show SMILES CN(C)[C@@H]1CCc2ccc3[nH]ccc3c2C1
Show InChI InChI=1S/C14H18N2/c1-16(2)11-5-3-10-4-6-14-12(7-8-15-14)13(10)9-11/h4,6-8,11,15H,3,5,9H2,1-2H3/t11-/m1/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against dopamine receptor D2 from homogenized rat brain, using [3H]spiperone as the radioligand.


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine lens aldose reductase with DL-glyceraldehyde as substrate


J Med Chem 27: 255-6 (1984)


BindingDB Entry DOI: 10.7270/Q2QR4W4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017520
PNG
((+/-)-Dimethyl-(6,7,8,9-tetrahydro-3H-benzo[e]indo...)
Show SMILES CN(C)C1CCc2ccc3[nH]ccc3c2C1
Show InChI InChI=1S/C14H18N2/c1-16(2)11-5-3-10-4-6-14-12(7-8-15-14)13(10)9-11/h4,6-8,11,15H,3,5,9H2,1-2H3
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n/an/a 1.84E+3n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against dopamine receptor D2 from homogenized rat brain, using [3H]spiperone as the radioligand.


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50016901
PNG
((2-Methyl-3-oxo-3H-phenalen-1-yl)-acetic acid | CH...)
Show SMILES Cc1c(O)c2cccc3cccc(c23)c1=CC(O)=O |w:15.18|
Show InChI InChI=1S/C16H12O3/c1-9-13(8-14(17)18)11-6-2-4-10-5-3-7-12(15(10)11)16(9)19/h2-8,19H,1H3,(H,17,18)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase (or polyol accumulation) in isolated rat sciatic nerve by compound at (10E-5) M concentration


J Med Chem 32: 757-65 (1989)


BindingDB Entry DOI: 10.7270/Q22B8X0W
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM16415
PNG
((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...)
Show SMILES OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
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n/an/a 2.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine lens aldose reductase with DL-glyceraldehyde as substrate


J Med Chem 27: 255-6 (1984)


BindingDB Entry DOI: 10.7270/Q2QR4W4S
More data for this
Ligand-Target Pair
D(2) dopamine 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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n/an/a 5.76E+3n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against Dopamine receptor D2 from homogenized rat brain, using [3H]spiperone as the radioligand


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50044235
PNG
(CHEMBL292274 | Dimethyl-(S)-6,7,8,9-tetrahydro-3H-...)
Show SMILES CN(C)[C@H]1CCc2ccc3[nH]ccc3c2C1
Show InChI InChI=1S/C14H18N2/c1-16(2)11-5-3-10-4-6-14-12(7-8-15-14)13(10)9-11/h4,6-8,11,15H,3,5,9H2,1-2H3/t11-/m0/s1
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n/an/a 9.51E+3n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against dopamine receptor D2 from homogenized rat brain, using [3H]spiperone as the radioligand.


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50017520
PNG
((+/-)-Dimethyl-(6,7,8,9-tetrahydro-3H-benzo[e]indo...)
Show SMILES CN(C)C1CCc2ccc3[nH]ccc3c2C1
Show InChI InChI=1S/C14H18N2/c1-16(2)11-5-3-10-4-6-14-12(7-8-15-14)13(10)9-11/h4,6-8,11,15H,3,5,9H2,1-2H3
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n/an/a 1.97E+4n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against dopamine receptor D1 from homogenized rat brain, using [3H]SCH-23390 as the radioligand.


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50044236
PNG
(CHEMBL303339 | Dimethyl-(R)-6,7,8,9-tetrahydro-3H-...)
Show SMILES CN(C)[C@@H]1CCc2ccc3[nH]ccc3c2C1
Show InChI InChI=1S/C14H18N2/c1-16(2)11-5-3-10-4-6-14-12(7-8-15-14)13(10)9-11/h4,6-8,11,15H,3,5,9H2,1-2H3/t11-/m1/s1
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n/an/a 2.04E+4n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against dopamine receptor D1 from homogenized rat brain, using [3H]SCH-23390 as the radioligand.


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50044235
PNG
(CHEMBL292274 | Dimethyl-(S)-6,7,8,9-tetrahydro-3H-...)
Show SMILES CN(C)[C@H]1CCc2ccc3[nH]ccc3c2C1
Show InChI InChI=1S/C14H18N2/c1-16(2)11-5-3-10-4-6-14-12(7-8-15-14)13(10)9-11/h4,6-8,11,15H,3,5,9H2,1-2H3/t11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.92E+4n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against dopamine receptor D1 from homogenized rat brain, using [3H]SCH-23390 as the radioligand.


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding activity against dopamine D1 receptor from homogenized rat brain, using [3H]SCH-23390 as the radioligand


J Med Chem 32: 2273-6 (1989)


BindingDB Entry DOI: 10.7270/Q2KD1ZG8
More data for this
Ligand-Target Pair