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Compile Data Set for Download or QSAR

Found 584 hits with Last Name = 'kristensen' and Initial = 'jl'   
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
ADRA1B


(C.H.O.)
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.00900n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328497
PNG
((11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CN)cc12
Show InChI InChI=1S/C20H25N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13-14,21H2,1H3
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0.0390n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328479
PNG
(1-Methyl-4-(8-(1-methyl-1H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnnn1C
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-23-24-26(21)2/h3-8,13,18H,9-12,14H2,1-2H3
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0.0670n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.0760n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from rat cloned alpha1d receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328500
PNG
(CHEMBL1259144 | rac-N-((11-(4-Methylpiperazin-1-yl...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12
Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)
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0.0810n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328497
PNG
((11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CN)cc12
Show InChI InChI=1S/C20H25N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13-14,21H2,1H3
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0.0820n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50328496
PNG
(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)C#N
Show InChI InChI=1S/C20H21N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13H2,1H3
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0.0840n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from rat cloned alpha1d receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328483
PNG
(1-Methyl-4-(8-(1-methyl-1H-1,2,4-triazol-3-yl)-10,...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ncn(C)n1
Show InChI InChI=1S/C22H25N5S/c1-25-9-11-27(12-10-25)19-14-16-5-3-4-6-20(16)28-21-8-7-17(13-18(19)21)22-23-15-26(2)24-22/h3-8,13,15,19H,9-12,14H2,1-2H3
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0.0860n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328500
PNG
(CHEMBL1259144 | rac-N-((11-(4-Methylpiperazin-1-yl...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12
Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)
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0.0880n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328496
PNG
(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)C#N
Show InChI InChI=1S/C20H21N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13H2,1H3
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0.0880n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328496
PNG
(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)C#N
Show InChI InChI=1S/C20H21N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13H2,1H3
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0.0960n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50328498
PNG
(1-Methyl-4-[8-(2-methyl-2H-tetrazol-5-ylmethyl)-10...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cc3nnn(C)n3)cc12
Show InChI InChI=1S/C22H26N6S/c1-26-9-11-28(12-10-26)19-15-17-5-3-4-6-20(17)29-21-8-7-16(13-18(19)21)14-22-23-25-27(2)24-22/h3-8,13,19H,9-12,14-15H2,1-2H3
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0.100n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from alpha1b receptor in rat cerebral cortex


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328501
PNG
(CHEMBL1259145 | rac-N-((11-(4-Methylpiperazin-1-yl...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)
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0.120n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50328500
PNG
(CHEMBL1259144 | rac-N-((11-(4-Methylpiperazin-1-yl...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12
Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)
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0.140n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from rat cloned alpha1d receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50328499
PNG
(1-Methyl-4-[8-(1-methyl-1H-tetrazol-5-ylmethyl)-10...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cc3nnnn3C)cc12
Show InChI InChI=1S/C22H26N6S/c1-26-9-11-28(12-10-26)19-15-17-5-3-4-6-20(17)29-21-8-7-16(13-18(19)21)14-22-23-24-25-27(22)2/h3-8,13,19H,9-12,14-15H2,1-2H3
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0.150n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from alpha1b receptor in rat cerebral cortex


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50328497
PNG
((11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CN)cc12
Show InChI InChI=1S/C20H25N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13-14,21H2,1H3
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0.150n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from rat cloned alpha1d receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50328478
PNG
(1-Methyl-4-(8-(2-methyl-2H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-24-26(2)23-21/h3-8,13,18H,9-12,14H2,1-2H3
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0.150n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from alpha1b receptor in rat cerebral cortex


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328506
PNG
((S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1 |r|
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328488
PNG
(5-(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenz...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C23H24N4S/c1-26-8-10-27(11-9-26)21-13-18-4-2-3-5-22(18)28-23-7-6-17(12-20(21)23)19-14-24-16-25-15-19/h2-7,12,14-16,21H,8-11,13H2,1H3
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0.170n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50328501
PNG
(CHEMBL1259145 | rac-N-((11-(4-Methylpiperazin-1-yl...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)
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0.170n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from rat cloned alpha1d receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328478
PNG
(1-Methyl-4-(8-(2-methyl-2H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-24-26(2)23-21/h3-8,13,18H,9-12,14H2,1-2H3
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0.170n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328474
PNG
(1-(2-(4-(5-(aminomethyl)-1-(4-fluorophenyl)-1H-ind...)
Show SMILES NCc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H30FN5O/c26-20-2-4-21(5-3-20)31-17-23(22-15-18(16-27)1-6-24(22)31)19-7-10-29(11-8-19)13-14-30-12-9-28-25(30)32/h1-6,15,17,19H,7-14,16,27H2,(H,28,32)
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0.180n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328486
PNG
(1-Methyl-4-(8-(pyridin-3-yl)-10,11-dihydrodibenzo[...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C24H25N3S/c1-26-11-13-27(14-12-26)22-16-19-5-2-3-7-23(19)28-24-9-8-18(15-21(22)24)20-6-4-10-25-17-20/h2-10,15,17,22H,11-14,16H2,1H3
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0.190n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
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0.190n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from human cloned histamine H1 receptor expressed in CHO cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097691
PNG
(CHEMBL3589596)
Show SMILES COc1cccc(CNCCc2cc(OC)c(Br)cc2OC)c1O
Show InChI InChI=1S/C18H22BrNO4/c1-22-15-6-4-5-13(18(15)21)11-20-8-7-12-9-17(24-3)14(19)10-16(12)23-2/h4-6,9-10,20-21H,7-8,11H2,1-3H3
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0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097677
PNG
(CHEMBL3589582)
Show SMILES COc1cc(CCNCc2cccc3CCOc23)c(OC)cc1Br
Show InChI InChI=1S/C19H22BrNO3/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,10-11,21H,6-9,12H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328506
PNG
((S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1 |r|
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328482
PNG
(1-Methyl-4-(8-(1-methyl-1H-pyrazol-4-yl)-10,11-dih...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H26N4S/c1-25-9-11-27(12-10-25)21-14-18-5-3-4-6-22(18)28-23-8-7-17(13-20(21)23)19-15-24-26(2)16-19/h3-8,13,15-16,21H,9-12,14H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328488
PNG
(5-(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenz...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C23H24N4S/c1-26-8-10-27(11-9-26)21-13-18-4-2-3-5-22(18)28-23-7-6-17(12-20(21)23)19-14-24-16-25-15-19/h2-7,12,14-16,21H,8-11,13H2,1H3
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0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from human cloned 5HT2C receptor expressed in CHO cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50328506
PNG
((S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1 |r|
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from rat cloned alpha1d receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50007567
PNG
(1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from rat cloned alpha1d receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50122815
PNG
(1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetraz...)
Show SMILES Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN8O/c1-32-30-25(29-31-32)19-2-7-24-22(16-19)23(17-35(24)21-5-3-20(27)4-6-21)18-8-11-33(12-9-18)14-15-34-13-10-28-26(34)36/h2-7,16-18H,8-15H2,1H3,(H,28,36)
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0.230n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328485
PNG
(1-Methyl-4-(8-(pyridin-2-yl)-10,11-dihydrodibenzo[...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccccn1
Show InChI InChI=1S/C24H25N3S/c1-26-12-14-27(15-13-26)22-17-19-6-2-3-8-23(19)28-24-10-9-18(16-20(22)24)21-7-4-5-11-25-21/h2-11,16,22H,12-15,17H2,1H3
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0.240n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328482
PNG
(1-Methyl-4-(8-(1-methyl-1H-pyrazol-4-yl)-10,11-dih...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H26N4S/c1-25-9-11-27(12-10-25)21-14-18-5-3-4-6-22(18)28-23-8-7-17(13-20(21)23)19-15-24-26(2)16-19/h3-8,13,15-16,21H,9-12,14H2,1-2H3
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0.240n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50328488
PNG
(5-(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenz...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C23H24N4S/c1-26-8-10-27(11-9-26)21-13-18-4-2-3-5-22(18)28-23-7-6-17(12-20(21)23)19-14-24-16-25-15-19/h2-7,12,14-16,21H,8-11,13H2,1H3
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0.240n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from rat cloned alpha1d receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328481
PNG
(1-Methyl-4-(8-(1-methyl-1H-pyrazol-3-yl)-10,11-dih...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccn(C)n1
Show InChI InChI=1S/C23H26N4S/c1-25-11-13-27(14-12-25)21-16-18-5-3-4-6-22(18)28-23-8-7-17(15-19(21)23)20-9-10-26(2)24-20/h3-10,15,21H,11-14,16H2,1-2H3
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0.25n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328481
PNG
(1-Methyl-4-(8-(1-methyl-1H-pyrazol-3-yl)-10,11-dih...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccn(C)n1
Show InChI InChI=1S/C23H26N4S/c1-25-11-13-27(14-12-25)21-16-18-5-3-4-6-22(18)28-23-8-7-17(15-19(21)23)20-9-10-26(2)24-20/h3-10,15,21H,11-14,16H2,1-2H3
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0.260n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328486
PNG
(1-Methyl-4-(8-(pyridin-3-yl)-10,11-dihydrodibenzo[...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C24H25N3S/c1-26-11-13-27(14-12-26)22-16-19-5-2-3-7-23(19)28-24-9-8-18(15-21(22)24)20-6-4-10-25-17-20/h2-10,15,17,22H,11-14,16H2,1H3
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0.260n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328505
PNG
((R)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@@H](N3CCN(C)CC3)c2c1 |r|
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328501
PNG
(CHEMBL1259145 | rac-N-((11-(4-Methylpiperazin-1-yl...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)
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0.310n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328480
PNG
(1-Methyl-4-(8-(1-methyl-1H-pyrazol-5-yl)-10,11-dih...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ccnn1C
Show InChI InChI=1S/C23H26N4S/c1-25-11-13-27(14-12-25)21-16-18-5-3-4-6-22(18)28-23-8-7-17(15-19(21)23)20-9-10-24-26(20)2/h3-10,15,21H,11-14,16H2,1-2H3
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0.320n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50328483
PNG
(1-Methyl-4-(8-(1-methyl-1H-1,2,4-triazol-3-yl)-10,...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ncn(C)n1
Show InChI InChI=1S/C22H25N5S/c1-25-9-11-27(12-10-25)19-14-16-5-3-4-6-20(16)28-21-8-7-17(13-18(19)21)22-23-15-26(2)24-22/h3-8,13,15,19H,9-12,14H2,1-2H3
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0.320n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from rat cloned alpha1d receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.330n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328504
PNG
((S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r|
Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)/t20-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328478
PNG
(1-Methyl-4-(8-(2-methyl-2H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnn(C)n1
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-24-26(2)23-21/h3-8,13,18H,9-12,14H2,1-2H3
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0.350n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50328498
PNG
(1-Methyl-4-[8-(2-methyl-2H-tetrazol-5-ylmethyl)-10...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cc3nnn(C)n3)cc12
Show InChI InChI=1S/C22H26N6S/c1-26-9-11-28(12-10-26)19-15-17-5-3-4-6-20(17)29-21-8-7-16(13-18(19)21)14-22-23-25-27(2)24-22/h3-8,13,19H,9-12,14-15H2,1-2H3
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0.350n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor expressed in HEK293 cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328479
PNG
(1-Methyl-4-(8-(1-methyl-1H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnnn1C
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-23-24-26(21)2/h3-8,13,18H,9-12,14H2,1-2H3
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0.360n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.370n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
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