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PubMed code 10021947

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074007
PNG
(6-(3,5-dimethyl-4-isoxazolylsulfonamido)-1'-[2-(1-...)
Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C30H31N3O5S/c1-20-29(21(2)38-31-20)39(35,36)32-24-10-11-28-26(18-24)27(34)19-30(37-28)13-16-33(17-14-30)15-12-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,18,32H,12-17,19H2,1-2H3
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0.690n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]-HEAT from cloned human Alpha-1A adrenergic receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074009
PNG
(CHEMBL431631 | N-[1'-(2-methoxyphenethyl)-4-oxospi...)
Show SMILES COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
Show InChI InChI=1S/C23H28N2O5S/c1-29-21-6-4-3-5-17(21)9-12-25-13-10-23(11-14-25)16-20(26)19-8-7-18(15-22(19)30-23)24-31(2,27)28/h3-8,15,24H,9-14,16H2,1-2H3
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6.5n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074008
PNG
(CHEMBL98430 | N-[1'-[2-(2-methyl-1H-3-indolyl)ethy...)
Show SMILES Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
Show InChI InChI=1S/C25H29N3O4S/c1-17-19(20-5-3-4-6-22(20)26-17)9-12-28-13-10-25(11-14-28)16-23(29)21-8-7-18(15-24(21)32-25)27-33(2,30)31/h3-8,15,26-27H,9-14,16H2,1-2H3
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8n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074012
PNG
(6-(1-methyl-1H-4-imidazolylsulfonamido)-1'-[2-(1-n...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C29H30N4O4S/c1-32-19-28(30-20-32)38(35,36)31-23-9-10-27-25(17-23)26(34)18-29(37-27)12-15-33(16-13-29)14-11-22-7-4-6-21-5-2-3-8-24(21)22/h2-10,17,19-20,31H,11-16,18H2,1H3
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8n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50074007
PNG
(6-(3,5-dimethyl-4-isoxazolylsulfonamido)-1'-[2-(1-...)
Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C30H31N3O5S/c1-20-29(21(2)38-31-20)39(35,36)32-24-10-11-28-26(18-24)27(34)19-30(37-28)13-16-33(17-14-30)15-12-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,18,32H,12-17,19H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Alpha-1A adrenergic receptor in rat prostatic tissue


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074007
PNG
(6-(3,5-dimethyl-4-isoxazolylsulfonamido)-1'-[2-(1-...)
Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C30H31N3O5S/c1-20-29(21(2)38-31-20)39(35,36)32-24-10-11-28-26(18-24)27(34)19-30(37-28)13-16-33(17-14-30)15-12-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,18,32H,12-17,19H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Alpha-1A adrenergic receptor in human prostatic tissue


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074006
PNG
(CHEMBL322688 | N-[1'-[2-(1-naphthyl)ethyl]-4-oxosp...)
Show SMILES O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc12
Show InChI InChI=1S/C32H32N2O4S/c35-30-22-32(16-19-34(20-17-32)18-15-26-11-6-10-25-9-4-5-12-28(25)26)38-31-14-13-27(21-29(30)31)33-39(36,37)23-24-7-2-1-3-8-24/h1-14,21,33H,15-20,22-23H2
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13n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074007
PNG
(6-(3,5-dimethyl-4-isoxazolylsulfonamido)-1'-[2-(1-...)
Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C30H31N3O5S/c1-20-29(21(2)38-31-20)39(35,36)32-24-10-11-28-26(18-24)27(34)19-30(37-28)13-16-33(17-14-30)15-12-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,18,32H,12-17,19H2,1-2H3
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18n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074013
PNG
(CHEMBL99614 | N-[1'-[2-(1-naphthyl)ethyl]-4-oxospi...)
Show SMILES CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4cccc5ccccc45)CC3)Oc2c1
Show InChI InChI=1S/C26H28N2O4S/c1-33(30,31)27-21-9-10-23-24(29)18-26(32-25(23)17-21)12-15-28(16-13-26)14-11-20-7-4-6-19-5-2-3-8-22(19)20/h2-10,17,27H,11-16,18H2,1H3
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20n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50074006
PNG
(CHEMBL322688 | N-[1'-[2-(1-naphthyl)ethyl]-4-oxosp...)
Show SMILES O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc12
Show InChI InChI=1S/C32H32N2O4S/c35-30-22-32(16-19-34(20-17-32)18-15-26-11-6-10-25-9-4-5-12-28(25)26)38-31-14-13-27(21-29(30)31)33-39(36,37)23-24-7-2-1-3-8-24/h1-14,21,33H,15-20,22-23H2
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24n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074012
PNG
(6-(1-methyl-1H-4-imidazolylsulfonamido)-1'-[2-(1-n...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C29H30N4O4S/c1-32-19-28(30-20-32)38(35,36)31-23-9-10-27-25(17-23)26(34)18-29(37-27)12-15-33(16-13-29)14-11-22-7-4-6-21-5-2-3-8-24(21)22/h2-10,17,19-20,31H,11-16,18H2,1H3
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24n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50074007
PNG
(6-(3,5-dimethyl-4-isoxazolylsulfonamido)-1'-[2-(1-...)
Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C30H31N3O5S/c1-20-29(21(2)38-31-20)39(35,36)32-24-10-11-28-26(18-24)27(34)19-30(37-28)13-16-33(17-14-30)15-12-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,18,32H,12-17,19H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074011
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[2,3-dihydro-1H-inden...)
Show SMILES O=C1c2ccccc2CC11CCN(CCc2cccc3ccccc23)CC1
Show InChI InChI=1S/C25H25NO/c27-24-23-11-4-2-7-21(23)18-25(24)13-16-26(17-14-25)15-12-20-9-5-8-19-6-1-3-10-22(19)20/h1-11H,12-18H2
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31n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074003
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-1H-isoch...)
Show SMILES O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc12
Show InChI InChI=1S/C25H25NO2/c27-24-23-11-4-2-7-21(23)18-25(28-24)13-16-26(17-14-25)15-12-20-9-5-8-19-6-1-3-10-22(19)20/h1-11H,12-18H2
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45n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50074014
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-2H-chrom...)
Show SMILES O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc12
Show InChI InChI=1S/C25H25NO2/c27-23-18-25(28-24-11-4-3-10-22(23)24)13-16-26(17-14-25)15-12-20-8-5-7-19-6-1-2-9-21(19)20/h1-11H,12-18H2
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48n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50074011
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[2,3-dihydro-1H-inden...)
Show SMILES O=C1c2ccccc2CC11CCN(CCc2cccc3ccccc23)CC1
Show InChI InChI=1S/C25H25NO/c27-24-23-11-4-2-7-21(23)18-25(24)13-16-26(17-14-25)15-12-20-9-5-8-19-6-1-3-10-22(19)20/h1-11H,12-18H2
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49n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50074010
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[2H-chromene-2,4'-(he...)
Show SMILES C(Cc1cccc2ccccc12)N1CCC2(CC1)Oc1ccccc1C=C2 |c:29|
Show InChI InChI=1S/C25H25NO/c1-3-10-23-20(6-1)8-5-9-21(23)13-17-26-18-15-25(16-19-26)14-12-22-7-2-4-11-24(22)27-25/h1-12,14H,13,15-19H2
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53n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50074012
PNG
(6-(1-methyl-1H-4-imidazolylsulfonamido)-1'-[2-(1-n...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C29H30N4O4S/c1-32-19-28(30-20-32)38(35,36)31-23-9-10-27-25(17-23)26(34)18-29(37-27)12-15-33(16-13-29)14-11-22-7-4-6-21-5-2-3-8-24(21)22/h2-10,17,19-20,31H,11-16,18H2,1H3
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53n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074006
PNG
(CHEMBL322688 | N-[1'-[2-(1-naphthyl)ethyl]-4-oxosp...)
Show SMILES O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc12
Show InChI InChI=1S/C32H32N2O4S/c35-30-22-32(16-19-34(20-17-32)18-15-26-11-6-10-25-9-4-5-12-28(25)26)38-31-14-13-27(21-29(30)31)33-39(36,37)23-24-7-2-1-3-8-24/h1-14,21,33H,15-20,22-23H2
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53n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074014
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-2H-chrom...)
Show SMILES O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc12
Show InChI InChI=1S/C25H25NO2/c27-23-18-25(28-24-11-4-3-10-22(23)24)13-16-26(17-14-25)15-12-20-8-5-7-19-6-1-2-9-21(19)20/h1-11H,12-18H2
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53n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50074002
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-2H-chrom...)
Show SMILES C(Cc1cccc2ccccc12)N1CCC2(CC1)CCc1ccccc1O2
Show InChI InChI=1S/C25H27NO/c1-3-10-23-20(6-1)8-5-9-21(23)13-17-26-18-15-25(16-19-26)14-12-22-7-2-4-11-24(22)27-25/h1-11H,12-19H2
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55n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074002
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-2H-chrom...)
Show SMILES C(Cc1cccc2ccccc12)N1CCC2(CC1)CCc1ccccc1O2
Show InChI InChI=1S/C25H27NO/c1-3-10-23-20(6-1)8-5-9-21(23)13-17-26-18-15-25(16-19-26)14-12-22-7-2-4-11-24(22)27-25/h1-11H,12-19H2
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56n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074003
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-1H-isoch...)
Show SMILES O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc12
Show InChI InChI=1S/C25H25NO2/c27-24-23-11-4-2-7-21(23)18-25(28-24)13-16-26(17-14-25)15-12-20-9-5-8-19-6-1-3-10-22(19)20/h1-11H,12-18H2
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60n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074014
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-2H-chrom...)
Show SMILES O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc12
Show InChI InChI=1S/C25H25NO2/c27-23-18-25(28-24-11-4-3-10-22(23)24)13-16-26(17-14-25)15-12-20-8-5-7-19-6-1-2-9-21(19)20/h1-11H,12-18H2
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67n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074010
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[2H-chromene-2,4'-(he...)
Show SMILES C(Cc1cccc2ccccc12)N1CCC2(CC1)Oc1ccccc1C=C2 |c:29|
Show InChI InChI=1S/C25H25NO/c1-3-10-23-20(6-1)8-5-9-21(23)13-17-26-18-15-25(16-19-26)14-12-22-7-2-4-11-24(22)27-25/h1-12,14H,13,15-19H2
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71n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074009
PNG
(CHEMBL431631 | N-[1'-(2-methoxyphenethyl)-4-oxospi...)
Show SMILES COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
Show InChI InChI=1S/C23H28N2O5S/c1-29-21-6-4-3-5-17(21)9-12-25-13-10-23(11-14-25)16-20(26)19-8-7-18(15-22(19)30-23)24-31(2,27)28/h3-8,15,24H,9-14,16H2,1-2H3
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94n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074002
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-2H-chrom...)
Show SMILES C(Cc1cccc2ccccc12)N1CCC2(CC1)CCc1ccccc1O2
Show InChI InChI=1S/C25H27NO/c1-3-10-23-20(6-1)8-5-9-21(23)13-17-26-18-15-25(16-19-26)14-12-22-7-2-4-11-24(22)27-25/h1-11H,12-19H2
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99n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074008
PNG
(CHEMBL98430 | N-[1'-[2-(2-methyl-1H-3-indolyl)ethy...)
Show SMILES Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
Show InChI InChI=1S/C25H29N3O4S/c1-17-19(20-5-3-4-6-22(20)26-17)9-12-28-13-10-25(11-14-28)16-23(29)21-8-7-18(15-24(21)32-25)27-33(2,30)31/h3-8,15,26-27H,9-14,16H2,1-2H3
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115n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074013
PNG
(CHEMBL99614 | N-[1'-[2-(1-naphthyl)ethyl]-4-oxospi...)
Show SMILES CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4cccc5ccccc45)CC3)Oc2c1
Show InChI InChI=1S/C26H28N2O4S/c1-33(30,31)27-21-9-10-23-24(29)18-26(32-25(23)17-21)12-15-28(16-13-26)14-11-20-7-4-6-19-5-2-3-8-22(19)20/h2-10,17,27H,11-16,18H2,1H3
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136n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50074003
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-1H-isoch...)
Show SMILES O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc12
Show InChI InChI=1S/C25H25NO2/c27-24-23-11-4-2-7-21(23)18-25(28-24)13-16-26(17-14-25)15-12-20-9-5-8-19-6-1-3-10-22(19)20/h1-11H,12-18H2
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137n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50074013
PNG
(CHEMBL99614 | N-[1'-[2-(1-naphthyl)ethyl]-4-oxospi...)
Show SMILES CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4cccc5ccccc45)CC3)Oc2c1
Show InChI InChI=1S/C26H28N2O4S/c1-33(30,31)27-21-9-10-23-24(29)18-26(32-25(23)17-21)12-15-28(16-13-26)14-11-20-7-4-6-19-5-2-3-8-22(19)20/h2-10,17,27H,11-16,18H2,1H3
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149n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074011
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[2,3-dihydro-1H-inden...)
Show SMILES O=C1c2ccccc2CC11CCN(CCc2cccc3ccccc23)CC1
Show InChI InChI=1S/C25H25NO/c27-24-23-11-4-2-7-21(23)18-25(24)13-16-26(17-14-25)15-12-20-9-5-8-19-6-1-3-10-22(19)20/h1-11H,12-18H2
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149n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50074009
PNG
(CHEMBL431631 | N-[1'-(2-methoxyphenethyl)-4-oxospi...)
Show SMILES COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
Show InChI InChI=1S/C23H28N2O5S/c1-29-21-6-4-3-5-17(21)9-12-25-13-10-23(11-14-25)16-20(26)19-8-7-18(15-22(19)30-23)24-31(2,27)28/h3-8,15,24H,9-14,16H2,1-2H3
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175n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074010
PNG
(1'-[2-(1-naphthyl)ethyl]spiro[2H-chromene-2,4'-(he...)
Show SMILES C(Cc1cccc2ccccc12)N1CCC2(CC1)Oc1ccccc1C=C2 |c:29|
Show InChI InChI=1S/C25H25NO/c1-3-10-23-20(6-1)8-5-9-21(23)13-17-26-18-15-25(16-19-26)14-12-22-7-2-4-11-24(22)27-25/h1-12,14H,13,15-19H2
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200n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50074008
PNG
(CHEMBL98430 | N-[1'-[2-(2-methyl-1H-3-indolyl)ethy...)
Show SMILES Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
Show InChI InChI=1S/C25H29N3O4S/c1-17-19(20-5-3-4-6-22(20)26-17)9-12-28-13-10-25(11-14-28)16-23(29)21-8-7-18(15-24(21)32-25)27-33(2,30)31/h3-8,15,26-27H,9-14,16H2,1-2H3
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221n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074004
PNG
(1'-[2-(2-pyridyl)ethyl]spiro[3,4-dihydro-2H-chrome...)
Show SMILES O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc12
Show InChI InChI=1S/C20H22N2O2/c23-18-15-20(24-19-7-2-1-6-17(18)19)9-13-22(14-10-20)12-8-16-5-3-4-11-21-16/h1-7,11H,8-10,12-15H2
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793n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50074004
PNG
(1'-[2-(2-pyridyl)ethyl]spiro[3,4-dihydro-2H-chrome...)
Show SMILES O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc12
Show InChI InChI=1S/C20H22N2O2/c23-18-15-20(24-19-7-2-1-6-17(18)19)9-13-22(14-10-20)12-8-16-5-3-4-11-21-16/h1-7,11H,8-10,12-15H2
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1.29E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074004
PNG
(1'-[2-(2-pyridyl)ethyl]spiro[3,4-dihydro-2H-chrome...)
Show SMILES O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc12
Show InChI InChI=1S/C20H22N2O2/c23-18-15-20(24-19-7-2-1-6-17(18)19)9-13-22(14-10-20)12-8-16-5-3-4-11-21-16/h1-7,11H,8-10,12-15H2
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1.52E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074005
PNG
(CHEMBL419164 | N-[4-oxo-1'-[2-(2-pyridyl)ethyl]spi...)
Show SMILES CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4ccccn4)CC3)Oc2c1
Show InChI InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-18-19(25)15-21(28-20(18)14-17)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3
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1.67E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50003331
PNG
(CHEMBL101322 | CHEMBL1204312 | N-[4-oxo-1'-[2-(2-p...)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccn4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-20-18(14-17)19(25)15-21(28-20)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3
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>2.00E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50003331
PNG
(CHEMBL101322 | CHEMBL1204312 | N-[4-oxo-1'-[2-(2-p...)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccn4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-20-18(14-17)19(25)15-21(28-20)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3
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>2.00E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50074005
PNG
(CHEMBL419164 | N-[4-oxo-1'-[2-(2-pyridyl)ethyl]spi...)
Show SMILES CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4ccccn4)CC3)Oc2c1
Show InChI InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-18-19(25)15-21(28-20(18)14-17)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3
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PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074005
PNG
(CHEMBL419164 | N-[4-oxo-1'-[2-(2-pyridyl)ethyl]spi...)
Show SMILES CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4ccccn4)CC3)Oc2c1
Show InChI InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-18-19(25)15-21(28-20(18)14-17)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3
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PubMed
3.25E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50003331
PNG
(CHEMBL101322 | CHEMBL1204312 | N-[4-oxo-1'-[2-(2-p...)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccn4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-20-18(14-17)19(25)15-21(28-20)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3
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PubMed
3.84E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%