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Compile Data Set for Download or QSAR

Found 1047 hits with Last Name = 'reitz' and Initial = 'ab'   
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
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50085677
PNG
(4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...)
Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1
Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)
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0.00860n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


Article DOI: 10.1021/jm000128r
BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50085677
PNG
(4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...)
Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1
Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)
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0.00860n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


Article DOI: 10.1021/jm990569e
BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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0.0150n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


Article DOI: 10.1021/jm990569e
BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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0.0150n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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0.0150n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


Article DOI: 10.1021/jm000128r
BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370036
PNG
(CHEMBL1203855)
Show SMILES Brc1csc(Cc2cnc[nH]2)c1Br
Show InChI InChI=1S/C8H6Br2N2S/c9-6-3-13-7(8(6)10)1-5-2-11-4-12-5/h2-4H,1H2,(H,11,12)
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0.0700n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370037
PNG
(CHEMBL1744288)
Show SMILES CCc1sccc1Cc1cnc[nH]1
Show InChI InChI=1S/C10H12N2S/c1-2-10-8(3-4-13-10)5-9-6-11-7-12-9/h3-4,6-7H,2,5H2,1H3,(H,11,12)
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0.0700n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370035
PNG
(CHEMBL1788145)
Show SMILES CC(c1cnc[nH]1)c1cscc1Br
Show InChI InChI=1S/C9H9BrN2S/c1-6(9-2-11-5-12-9)7-3-13-4-8(7)10/h2-6H,1H3,(H,11,12)
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0.0800n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370026
PNG
(CHEMBL1744273)
Show SMILES Clc1cc(Cc2cnc[nH]2)c(Cl)s1
Show InChI InChI=1S/C8H6Cl2N2S/c9-7-2-5(8(10)13-7)1-6-3-11-4-12-6/h2-4H,1H2,(H,11,12)
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0.0880n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370020
PNG
(CHEMBL1744270)
Show SMILES C(c1cnc[nH]1)c1csc2ccccc12
Show InChI InChI=1S/C12H10N2S/c1-2-4-12-11(3-1)9(7-15-12)5-10-6-13-8-14-10/h1-4,6-8H,5H2,(H,13,14)
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0.0900n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370021
PNG
(CHEMBL1744272)
Show SMILES Cc1csc(C)c1Cc1cnc[nH]1
Show InChI InChI=1S/C10H12N2S/c1-7-5-13-8(2)10(7)3-9-4-11-6-12-9/h4-6H,3H2,1-2H3,(H,11,12)
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0.100n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50034342
PNG
((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...)
Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(O)c21
Show InChI InChI=1S/C15H21NO/c1-2-9-16-10-8-12-13(16)7-6-11-4-3-5-14(17)15(11)12/h3-5,12-13,17H,2,6-10H2,1H3/t12-,13-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50029326
PNG
(8-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CC4(CCCC4)CC3=O)c2)CC1
Show InChI InChI=1S/C30H39N3O3/c1-23(2)36-27-11-4-3-10-26(27)32-16-14-31(15-17-32)21-24-8-7-9-25(18-24)22-33-28(34)19-30(20-29(33)35)12-5-6-13-30/h3-4,7-11,18,23H,5-6,12-17,19-22H2,1-2H3
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0.130n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity against the 5-hydroxytryptamine receptor 1A using [3H]WB-4101.


J Med Chem 38: 4211-22 (1995)


Article DOI: 10.1021/jm00021a010
BindingDB Entry DOI: 10.7270/Q2C53MH2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370019
PNG
(CHEMBL1203846)
Show SMILES Cc1csc(Cc2cnc[nH]2)c1C
Show InChI InChI=1S/C10H12N2S/c1-7-5-13-10(8(7)2)3-9-4-11-6-12-9/h4-6H,3H2,1-2H3,(H,11,12)
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0.170n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50098334
PNG
(4-[1-(3-Bromo-thiophen-2-yl)-ethyl]-1H-imidazole |...)
Show SMILES CC(c1cnc[nH]1)c1sccc1Br
Show InChI InChI=1S/C9H9BrN2S/c1-6(8-4-11-5-12-8)9-7(10)2-3-13-9/h2-6H,1H3,(H,11,12)
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0.180n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50029257
PNG
((3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1A adrenergic receptors using alpha1A ligand WB4101


J Med Chem 37: 1060-2 (1994)


Article DOI: 10.1021/jm00034a003
BindingDB Entry DOI: 10.7270/Q23R0RXB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50064563
PNG
(CHEMBL61816 | [3-(4-Benzofuran-6-yl-piperazin-1-yl...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCN(CC2)c2ccc3ccoc3c2)c1
Show InChI InChI=1S/C25H29N3O2/c29-25(28-10-2-1-3-11-28)22-6-4-5-20(17-22)19-26-12-14-27(15-13-26)23-8-7-21-9-16-30-24(21)18-23/h4-9,16-18H,1-3,10-15,19H2
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0.210n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370044
PNG
(CHEMBL1744289)
Show SMILES Brc1cscc1Cc1cnc[nH]1
Show InChI InChI=1S/C8H7BrN2S/c9-8-4-12-3-6(8)1-7-2-10-5-11-7/h2-5H,1H2,(H,10,11)
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0.230n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370043
PNG
(CHEMBL1744263)
Show SMILES CCc1cscc1C(C)c1cnc[nH]1
Show InChI InChI=1S/C11H14N2S/c1-3-9-5-14-6-10(9)8(2)11-4-12-7-13-11/h4-8H,3H2,1-2H3,(H,12,13)
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0.280n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370033
PNG
(CHEMBL1744278)
Show SMILES CCc1cscc1Cc1cnc[nH]1
Show InChI InChI=1S/C10H12N2S/c1-2-8-5-13-6-9(8)3-10-4-11-7-12-10/h4-7H,2-3H2,1H3,(H,11,12)
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0.290n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50064537
PNG
(CHEMBL293658 | {3-[4-(2,3-Dihydro-benzo[1,4]dioxin...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCN(CC2)C2COc3ccccc3O2)c1
Show InChI InChI=1S/C25H31N3O3/c29-25(28-11-4-1-5-12-28)21-8-6-7-20(17-21)18-26-13-15-27(16-14-26)24-19-30-22-9-2-3-10-23(22)31-24/h2-3,6-10,17,24H,1,4-5,11-16,18-19H2
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0.340n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370023
PNG
(CHEMBL1203850)
Show SMILES Brc1ccsc1Cc1cnc[nH]1
Show InChI InChI=1S/C8H7BrN2S/c9-7-1-2-12-8(7)3-6-4-10-5-11-6/h1-2,4-5H,3H2,(H,10,11)
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0.350n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50085679
PNG
(4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-im...)
Show SMILES C1CC(c2cnc[nH]2)c2sccc2C1
Show InChI InChI=1S/C11H12N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h4-7,9H,1-3H2,(H,12,13)
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0.350n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


Article DOI: 10.1021/jm990569e
BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50085679
PNG
(4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-im...)
Show SMILES C1CC(c2cnc[nH]2)c2sccc2C1
Show InChI InChI=1S/C11H12N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h4-7,9H,1-3H2,(H,12,13)
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0.350n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


Article DOI: 10.1021/jm000128r
BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.370n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine D2 receptors in rat brain synaptosomal preparations


J Med Chem 37: 1060-2 (1994)


Article DOI: 10.1021/jm00034a003
BindingDB Entry DOI: 10.7270/Q23R0RXB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.370n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity with Dopamine receptor D2 using membranes prepared from rat striatum


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1N=C1NCCN1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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0.390n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


Article DOI: 10.1021/jm990569e
BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1N=C1NCCN1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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0.390n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


Article DOI: 10.1021/jm000128r
BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370022
PNG
(CHEMBL1744271)
Show SMILES CC(c1cnc[nH]1)c1cscc1C
Show InChI InChI=1S/C10H12N2S/c1-7-4-13-5-9(7)8(2)10-3-11-6-12-10/h3-6,8H,1-2H3,(H,11,12)
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0.390n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370016
PNG
(CHEMBL1744276)
Show SMILES CCc1cc(Cc2cnc[nH]2)c(CC)s1
Show InChI InChI=1S/C12H16N2S/c1-3-11-6-9(12(4-2)15-11)5-10-7-13-8-14-10/h6-8H,3-5H2,1-2H3,(H,13,14)
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0.400n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370047
PNG
(CHEMBL1744280)
Show SMILES CC(c1cnc[nH]1)c1scc(Br)c1Br
Show InChI InChI=1S/C9H8Br2N2S/c1-5(7-2-12-4-13-7)9-8(11)6(10)3-14-9/h2-5H,1H3,(H,12,13)
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0.430n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370028
PNG
(CHEMBL1744294)
Show SMILES Cc1sccc1Cc1cnc[nH]1
Show InChI InChI=1S/C9H10N2S/c1-7-8(2-3-12-7)4-9-5-10-6-11-9/h2-3,5-6H,4H2,1H3,(H,10,11)
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0.440n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370034
PNG
(CHEMBL1203848)
Show SMILES Cc1ccsc1Cc1cnc[nH]1
Show InChI InChI=1S/C9H10N2S/c1-7-2-3-12-9(7)4-8-5-10-6-11-8/h2-3,5-6H,4H2,1H3,(H,10,11)
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0.450n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50064529
PNG
(Azepan-1-yl-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCCC2)CC1
Show InChI InChI=1S/C25H33N3O2/c1-30-24-12-5-4-11-23(24)27-17-15-26(16-18-27)20-21-9-8-10-22(19-21)25(29)28-13-6-2-3-7-14-28/h4-5,8-12,19H,2-3,6-7,13-18,20H2,1H3
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0.460n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370030
PNG
(CHEMBL1744291)
Show SMILES Cc1cscc1Cc1cnc[nH]1
Show InChI InChI=1S/C9H10N2S/c1-7-4-12-5-8(7)2-9-3-10-6-11-9/h3-6H,2H2,1H3,(H,10,11)
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0.470n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50085678
PNG
(4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-im...)
Show SMILES C1CC(c2cnc[nH]2)c2ccsc2C1
Show InChI InChI=1S/C11H12N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h4-8H,1-3H2,(H,12,13)
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0.560n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


Article DOI: 10.1021/jm000128r
BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50085678
PNG
(4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-im...)
Show SMILES C1CC(c2cnc[nH]2)c2ccsc2C1
Show InChI InChI=1S/C11H12N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h4-8H,1-3H2,(H,12,13)
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0.560n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


Article DOI: 10.1021/jm990569e
BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50064548
PNG
(Azepan-1-yl-{3-[4-(2-isopropoxy-phenyl)-piperazin-...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCCC2)CC1
Show InChI InChI=1S/C27H37N3O2/c1-22(2)32-26-13-6-5-12-25(26)29-18-16-28(17-19-29)21-23-10-9-11-24(20-23)27(31)30-14-7-3-4-8-15-30/h5-6,9-13,20,22H,3-4,7-8,14-19,21H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50064536
PNG
(Azocan-1-yl-{3-[4-(2-isopropoxy-phenyl)-piperazin-...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCCCC2)CC1
Show InChI InChI=1S/C28H39N3O2/c1-23(2)33-27-14-7-6-13-26(27)30-19-17-29(18-20-30)22-24-11-10-12-25(21-24)28(32)31-15-8-4-3-5-9-16-31/h6-7,10-14,21,23H,3-5,8-9,15-20,22H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370015
PNG
(CHEMBL1744277)
Show SMILES Cc1cc(Cc2cnc[nH]2)c(C)s1
Show InChI InChI=1S/C10H12N2S/c1-7-3-9(8(2)13-7)4-10-5-11-6-12-10/h3,5-6H,4H2,1-2H3,(H,11,12)
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0.690n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50064547
PNG
(Azepan-1-yl-{3-[4-(2-ethoxy-phenyl)-piperazin-1-yl...)
Show SMILES CCOc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCCC2)CC1
Show InChI InChI=1S/C26H35N3O2/c1-2-31-25-13-6-5-12-24(25)28-18-16-27(17-19-28)21-22-10-9-11-23(20-22)26(30)29-14-7-3-4-8-15-29/h5-6,9-13,20H,2-4,7-8,14-19,21H2,1H3
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0.710n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370024
PNG
(CHEMBL1744281)
Show SMILES CC(c1cnc[nH]1)c1scc(C)c1C
Show InChI InChI=1S/C11H14N2S/c1-7-5-14-11(8(7)2)9(3)10-4-12-6-13-10/h4-6,9H,1-3H3,(H,12,13)
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0.75n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50098355
PNG
(4-[1-(3-Methyl-thiophen-2-yl)-ethyl]-1H-imidazole ...)
Show SMILES CC(c1cnc[nH]1)c1sccc1C
Show InChI InChI=1S/C10H12N2S/c1-7-3-4-13-10(7)8(2)9-5-11-6-12-9/h3-6,8H,1-2H3,(H,11,12)
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0.780n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


J Med Chem 44: 863-72 (2001)


Article DOI: 10.1021/jm0003891
BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001869
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C25H36N4O2/c1-20(2)31-24-9-5-4-8-23(24)28-16-14-27(15-17-28)18-21-11-12-22(26(21)3)19-29-13-7-6-10-25(29)30/h4-5,8-9,11-12,20H,6-7,10,13-19H2,1-3H3
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0.800n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity with Dopamine receptor D2 using membranes prepared from rat striatum


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001869
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C25H36N4O2/c1-20(2)31-24-9-5-4-8-23(24)28-16-14-27(15-17-28)18-21-11-12-22(26(21)3)19-29-13-7-6-10-25(29)30/h4-5,8-9,11-12,20H,6-7,10,13-19H2,1-3H3
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0.800n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity against the dopamine receptor D2 using [3H]spiperinone.


J Med Chem 38: 4211-22 (1995)


Article DOI: 10.1021/jm00021a010
BindingDB Entry DOI: 10.7270/Q2C53MH2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50064534
PNG
(CHEMBL413546 | Piperidin-1-yl-{3-[4-(2-trifluorome...)
Show SMILES FC(F)(F)c1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C24H28F3N3O/c25-24(26,27)21-9-2-3-10-22(21)29-15-13-28(14-16-29)18-19-7-6-8-20(17-19)23(31)30-11-4-1-5-12-30/h2-3,6-10,17H,1,4-5,11-16,18H2
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0.800n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001869
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C25H36N4O2/c1-20(2)31-24-9-5-4-8-23(24)28-16-14-27(15-17-28)18-21-11-12-22(26(21)3)19-29-13-7-6-10-25(29)30/h4-5,8-9,11-12,20H,6-7,10,13-19H2,1-3H3
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0.800n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine D2 receptors in rat brain synaptosomal preparations


J Med Chem 37: 1060-2 (1994)


Article DOI: 10.1021/jm00034a003
BindingDB Entry DOI: 10.7270/Q23R0RXB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50064565
PNG
(CHEMBL59167 | N,N-Dibutyl-3-[4-(2-isopropoxy-pheny...)
Show SMILES CCCCN(CCCC)C(=O)c1cccc(CN2CCN(CC2)c2ccccc2OC(C)C)c1
Show InChI InChI=1S/C29H43N3O2/c1-5-7-16-32(17-8-6-2)29(33)26-13-11-12-25(22-26)23-30-18-20-31(21-19-30)27-14-9-10-15-28(27)34-24(3)4/h9-15,22,24H,5-8,16-21,23H2,1-4H3
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0.800n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50291354
PNG
(2-[3-((S)-5-Methoxy-1,3,4,4a,9,9a-hexahydro-indeno...)
Show SMILES COc1cccc2C[C@@H]3CN(CCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
Show InChI InChI=1S/C23H26N2O4S/c1-29-20-8-4-6-16-14-17-15-24(13-10-18(17)22(16)20)11-5-12-25-23(26)19-7-2-3-9-21(19)30(25,27)28/h2-4,6-9,17-18H,5,10-15H2,1H3/t17-,18?/m1/s1
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0.890n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50064564
PNG
(CHEMBL64528 | {3-[4-(2-Isopropoxy-phenyl)-piperidi...)
Show SMILES CC(C)Oc1ccccc1C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C27H36N2O2/c1-21(2)31-26-12-5-4-11-25(26)23-13-17-28(18-14-23)20-22-9-8-10-24(19-22)27(30)29-15-6-3-7-16-29/h4-5,8-12,19,21,23H,3,6-7,13-18,20H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair
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