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Compile Data Set for Download or QSAR

Found 673 hits with Last Name = 'costanzi' and Initial = 's'   
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 adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50274054
PNG
(CHEMBL4128084)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H31N5O4/c1-33-22-14-18-19(15-23(22)34-2)28-25(29-24(18)27)30-12-13-31(21-11-7-6-10-20(21)30)26(32)35-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20-21H,6-7,10-13,16H2,1-2H3,(H2,27,28,29)/t20-,21+/m0/s1
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0.0398n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50274049
PNG
(CHEMBL342062)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m1/s1
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0.0603n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50274053
PNG
(CHEMBL4126860)
Show SMILES CCCN(CCC)c1nc(nc2cc(OC)c(OC)cc12)N1CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C29H39N5O4/c1-5-13-32(14-6-2)27-20-18-25(36-3)26(37-4)19-21(20)30-29(31-27)34-16-15-33(22-10-7-8-11-23(22)34)28(35)24-12-9-17-38-24/h9,12,17-19,22-23H,5-8,10-11,13-16H2,1-4H3/t22-,23+/m1/s1
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0.0631n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50274049
PNG
(CHEMBL342062)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m1/s1
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0.0708n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50274053
PNG
(CHEMBL4126860)
Show SMILES CCCN(CCC)c1nc(nc2cc(OC)c(OC)cc12)N1CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C29H39N5O4/c1-5-13-32(14-6-2)27-20-18-25(36-3)26(37-4)19-21(20)30-29(31-27)34-16-15-33(22-10-7-8-11-23(22)34)28(35)24-12-9-17-38-24/h9,12,17-19,22-23H,5-8,10-11,13-16H2,1-4H3/t22-,23+/m1/s1
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0.129n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50403649
PNG
(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
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0.135n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50274061
PNG
(CHEMBL4129461)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(C)=O
Show InChI InChI=1S/C20H27N5O3/c1-12(26)24-8-9-25(16-7-5-4-6-15(16)24)20-22-14-11-18(28-3)17(27-2)10-13(14)19(21)23-20/h10-11,15-16H,4-9H2,1-3H3,(H2,21,22,23)/t15-,16+/m1/s1
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0.151n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50274057
PNG
(CHEMBL4129291)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)COc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C30H39N5O5/c1-18(2)19-9-8-12-24(37-3)28(19)40-17-27(36)34-13-14-35(23-11-7-6-10-22(23)34)30-32-21-16-26(39-5)25(38-4)15-20(21)29(31)33-30/h8-9,12,15-16,18,22-23H,6-7,10-11,13-14,17H2,1-5H3,(H2,31,32,33)/t22-,23+/m0/s1
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0.151n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50274054
PNG
(CHEMBL4128084)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H31N5O4/c1-33-22-14-18-19(15-23(22)34-2)28-25(29-24(18)27)30-12-13-31(21-11-7-6-10-20(21)30)26(32)35-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20-21H,6-7,10-13,16H2,1-2H3,(H2,27,28,29)/t20-,21+/m0/s1
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0.191n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50274052
PNG
(CHEMBL4127483)
Show SMILES CCCN(CCC)c1nc(nc2cc(OC)c(OC)cc12)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C29H39N5O4/c1-5-13-32(14-6-2)27-20-18-25(36-3)26(37-4)19-21(20)30-29(31-27)34-16-15-33(22-10-7-8-11-23(22)34)28(35)24-12-9-17-38-24/h9,12,17-19,22-23H,5-8,10-11,13-16H2,1-4H3/t22-,23+/m0/s1
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0.302n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50369386
PNG
(CHEMBL608327)
Show SMILES CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3Cl)ncnc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-3-2-4-9(20)10(8)19/h2-4,6-7,12-14,18,27-28H,5H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18?/m0/s1
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PubMed
0.330n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against rat adenosine A3 receptor expressed in CHO cells using [125I]-.


J Med Chem 41: 3174-85 (1998)


Article DOI: 10.1021/jm980147p
BindingDB Entry DOI: 10.7270/Q2765G10
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50274050
PNG
(CHEMBL4125981)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H31N5O4/c1-33-22-14-18-19(15-23(22)34-2)28-25(29-24(18)27)30-12-13-31(21-11-7-6-10-20(21)30)26(32)35-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20-21H,6-7,10-13,16H2,1-2H3,(H2,27,28,29)/t20-,21+/m1/s1
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0.380n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50274057
PNG
(CHEMBL4129291)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)COc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C30H39N5O5/c1-18(2)19-9-8-12-24(37-3)28(19)40-17-27(36)34-13-14-35(23-11-7-6-10-22(23)34)30-32-21-16-26(39-5)25(38-4)15-20(21)29(31)33-30/h8-9,12,15-16,18,22-23H,6-7,10-11,13-14,17H2,1-5H3,(H2,31,32,33)/t22-,23+/m0/s1
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0.389n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50274054
PNG
(CHEMBL4128084)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H31N5O4/c1-33-22-14-18-19(15-23(22)34-2)28-25(29-24(18)27)30-12-13-31(21-11-7-6-10-20(21)30)26(32)35-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20-21H,6-7,10-13,16H2,1-2H3,(H2,27,28,29)/t20-,21+/m0/s1
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0.501n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50274049
PNG
(CHEMBL342062)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m1/s1
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0.589n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50403649
PNG
(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
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0.692n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1B adrenergic receptor


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50274061
PNG
(CHEMBL4129461)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(C)=O
Show InChI InChI=1S/C20H27N5O3/c1-12(26)24-8-9-25(16-7-5-4-6-15(16)24)20-22-14-11-18(28-3)17(27-2)10-13(14)19(21)23-20/h10-11,15-16H,4-9H2,1-3H3,(H2,21,22,23)/t15-,16+/m1/s1
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0.741n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50274059
PNG
(CHEMBL4128460)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C(C)(C)C
Show InChI InChI=1S/C23H33N5O3/c1-23(2,3)21(29)27-10-11-28(17-9-7-6-8-16(17)27)22-25-15-13-19(31-5)18(30-4)12-14(15)20(24)26-22/h12-13,16-17H,6-11H2,1-5H3,(H2,24,25,26)/t16-,17+/m0/s1
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0.776n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50274057
PNG
(CHEMBL4129291)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)COc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C30H39N5O5/c1-18(2)19-9-8-12-24(37-3)28(19)40-17-27(36)34-13-14-35(23-11-7-6-10-22(23)34)30-32-21-16-26(39-5)25(38-4)15-20(21)29(31)33-30/h8-9,12,15-16,18,22-23H,6-7,10-11,13-14,17H2,1-5H3,(H2,31,32,33)/t22-,23+/m0/s1
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0.871n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50274060
PNG
(CHEMBL4127078)
Show SMILES CCCCCC(=O)N1CCN([C@@H]2CCCC[C@H]12)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C24H35N5O3/c1-4-5-6-11-22(30)28-12-13-29(19-10-8-7-9-18(19)28)24-26-17-15-21(32-3)20(31-2)14-16(17)23(25)27-24/h14-15,18-19H,4-13H2,1-3H3,(H2,25,26,27)/t18-,19+/m0/s1
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0.912n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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PubMed
1.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against rat adenosine A3 receptor expressed in CHO cells using [125I]-.


J Med Chem 41: 3174-85 (1998)


Article DOI: 10.1021/jm980147p
BindingDB Entry DOI: 10.7270/Q2765G10
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50274055
PNG
(CHEMBL4125846)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C30H33N5O3/c1-37-26-17-22-23(18-27(26)38-2)32-30(33-29(22)31)35-14-13-34(24-9-5-6-10-25(24)35)28(36)16-19-11-12-20-7-3-4-8-21(20)15-19/h3-4,7-8,11-12,15,17-18,24-25H,5-6,9-10,13-14,16H2,1-2H3,(H2,31,32,33)/t24-,25+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50414396
PNG
(CHEMBL564481)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19+,24?/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity to alpha1B adrenergic receptor (unknown origin)


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50274053
PNG
(CHEMBL4126860)
Show SMILES CCCN(CCC)c1nc(nc2cc(OC)c(OC)cc12)N1CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C29H39N5O4/c1-5-13-32(14-6-2)27-20-18-25(36-3)26(37-4)19-21(20)30-29(31-27)34-16-15-33(22-10-7-8-11-23(22)34)28(35)24-12-9-17-38-24/h9,12,17-19,22-23H,5-8,10-11,13-16H2,1-4H3/t22-,23+/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50274055
PNG
(CHEMBL4125846)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C30H33N5O3/c1-37-26-17-22-23(18-27(26)38-2)32-30(33-29(22)31)35-14-13-34(24-9-5-6-10-25(24)35)28(36)16-19-11-12-20-7-3-4-8-21(20)15-19/h3-4,7-8,11-12,15,17-18,24-25H,5-6,9-10,13-14,16H2,1-2H3,(H2,31,32,33)/t24-,25+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50009263
PNG
((2S,3S,4R,5R)-5-(6-amino-2-(hex-1-ynyl)-9H-purin-9...)
Show SMILES CC(C)(C)OC(=O)C1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25?,26?/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity against Human recombinant Adenosine A3 receptor stably transfected in CHO cells using [3H]NECA as radioligand


J Med Chem 45: 3271-9 (2002)


Article DOI: 10.1021/jm0109762
BindingDB Entry DOI: 10.7270/Q2XW4KJP
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50403649
PNG
(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50414396
PNG
(CHEMBL564481)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19+,24?/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity to alpha1A adrenergic receptor (unknown origin)


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50274060
PNG
(CHEMBL4127078)
Show SMILES CCCCCC(=O)N1CCN([C@@H]2CCCC[C@H]12)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C24H35N5O3/c1-4-5-6-11-22(30)28-12-13-29(19-10-8-7-9-18(19)28)24-26-17-15-21(32-3)20(31-2)14-16(17)23(25)27-24/h14-15,18-19H,4-13H2,1-3H3,(H2,25,26,27)/t18-,19+/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50414396
PNG
(CHEMBL564481)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19+,24?/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity to alpha1D adrenergic receptor (unknown origin)


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50274050
PNG
(CHEMBL4125981)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H31N5O4/c1-33-22-14-18-19(15-23(22)34-2)28-25(29-24(18)27)30-12-13-31(21-11-7-6-10-20(21)30)26(32)35-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20-21H,6-7,10-13,16H2,1-2H3,(H2,27,28,29)/t20-,21+/m1/s1
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4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50370121
PNG
(CHEMBL607759)
Show SMILES CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1
Show InChI InChI=1S/C20H21N5O4/c1-2-21-18-15-19(24-14(23-18)9-8-12-6-4-3-5-7-12)25(11-22-15)20-17(28)16(27)13(10-26)29-20/h3-7,11,13,16-17,20,26-28H,2,10H2,1H3,(H,21,23,24)/t13-,16-,17-,20?/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity against Human recombinant Adenosine A3 receptor stably transfected in CHO cells using [3H]NECA as radioligand


J Med Chem 45: 3271-9 (2002)


Article DOI: 10.1021/jm0109762
BindingDB Entry DOI: 10.7270/Q2XW4KJP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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5.07n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


Article DOI: 10.1021/jm9911231
BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50274052
PNG
(CHEMBL4127483)
Show SMILES CCCN(CCC)c1nc(nc2cc(OC)c(OC)cc12)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C29H39N5O4/c1-5-13-32(14-6-2)27-20-18-25(36-3)26(37-4)19-21(20)30-29(31-27)34-16-15-33(22-10-7-8-11-23(22)34)28(35)24-12-9-17-38-24/h9,12,17-19,22-23H,5-8,10-11,13-16H2,1-4H3/t22-,23+/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50274050
PNG
(CHEMBL4125981)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H31N5O4/c1-33-22-14-18-19(15-23(22)34-2)28-25(29-24(18)27)30-12-13-31(21-11-7-6-10-20(21)30)26(32)35-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20-21H,6-7,10-13,16H2,1-2H3,(H2,27,28,29)/t20-,21+/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50274060
PNG
(CHEMBL4127078)
Show SMILES CCCCCC(=O)N1CCN([C@@H]2CCCC[C@H]12)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C24H35N5O3/c1-4-5-6-11-22(30)28-12-13-29(19-10-8-7-9-18(19)28)24-26-17-15-21(32-3)20(31-2)14-16(17)23(25)27-24/h14-15,18-19H,4-13H2,1-3H3,(H2,25,26,27)/t18-,19+/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50179025
PNG
((2S,3S,4R,5R)-5-{6-[(Biphenyl-4-carbonyl)-amino]-p...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(cc3)-c3ccccc3)ncnc12
Show InChI InChI=1S/C25H24N6O5/c1-2-26-24(35)20-18(32)19(33)25(36-20)31-13-29-17-21(27-12-28-22(17)31)30-23(34)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,18-20,25,32-33H,2H2,1H3,(H,26,35)(H,27,28,30,34)/t18-,19+,20-,25+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


J Med Chem 41: 3174-85 (1998)


Article DOI: 10.1021/jm980147p
BindingDB Entry DOI: 10.7270/Q2765G10
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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6n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
[3H]NECA saturation binding in CHO cells expressing human Adenosine A3 receptor


Bioorg Med Chem Lett 11: 1931-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00347-x
BindingDB Entry DOI: 10.7270/Q2NZ8866
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50274059
PNG
(CHEMBL4128460)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C(C)(C)C
Show InChI InChI=1S/C23H33N5O3/c1-23(2,3)21(29)27-10-11-28(17-9-7-6-8-16(17)27)22-25-15-13-19(31-5)18(30-4)12-14(15)20(24)26-22/h12-13,16-17H,6-11H2,1-5H3,(H2,24,25,26)/t16-,17+/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


J Med Chem 41: 3174-85 (1998)


Article DOI: 10.1021/jm980147p
BindingDB Entry DOI: 10.7270/Q2765G10
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50009263
PNG
((2S,3S,4R,5R)-5-(6-amino-2-(hex-1-ynyl)-9H-purin-9...)
Show SMILES CC(C)(C)OC(=O)C1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25?,26?/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity against Human recombinant Adenosine A2A receptor stably transfected in CHO cells using [3H]NECA as radioligand


J Med Chem 45: 3271-9 (2002)


Article DOI: 10.1021/jm0109762
BindingDB Entry DOI: 10.7270/Q2XW4KJP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50274059
PNG
(CHEMBL4128460)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C(C)(C)C
Show InChI InChI=1S/C23H33N5O3/c1-23(2,3)21(29)27-10-11-28(17-9-7-6-8-16(17)27)22-25-15-13-19(31-5)18(30-4)12-14(15)20(24)26-22/h12-13,16-17H,6-11H2,1-5H3,(H2,24,25,26)/t16-,17+/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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7.43n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes.


J Med Chem 43: 250-60 (2000)


Article DOI: 10.1021/jm9911231
BindingDB Entry DOI: 10.7270/Q2930TW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50274061
PNG
(CHEMBL4129461)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(C)=O
Show InChI InChI=1S/C20H27N5O3/c1-12(26)24-8-9-25(16-7-5-4-6-15(16)24)20-22-14-11-18(28-3)17(27-2)10-13(14)19(21)23-20/h10-11,15-16H,4-9H2,1-3H3,(H2,21,22,23)/t15-,16+/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50274051
PNG
(CHEMBL4128311)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(C)=O
Show InChI InChI=1S/C20H27N5O3/c1-12(26)24-8-9-25(16-7-5-4-6-15(16)24)20-22-14-11-18(28-3)17(27-2)10-13(14)19(21)23-20/h10-11,15-16H,4-9H2,1-3H3,(H2,21,22,23)/t15-,16+/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179048
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-{6-[3-(4-sulfamoyl-p...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)ncnc12
Show InChI InChI=1S/C19H22N8O7S/c1-2-21-17(30)14-12(28)13(29)18(34-14)27-8-24-11-15(22-7-23-16(11)27)26-19(31)25-9-3-5-10(6-4-9)35(20,32)33/h3-8,12-14,18,28-29H,2H2,1H3,(H,21,30)(H2,20,32,33)(H2,22,23,25,26,31)/t12-,13+,14-,18+/m0/s1
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9.70n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against rat adenosine A3 receptor expressed in CHO cells using [125I]-.


J Med Chem 41: 3174-85 (1998)


Article DOI: 10.1021/jm980147p
BindingDB Entry DOI: 10.7270/Q2765G10
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.


J Med Chem 41: 3174-85 (1998)


Article DOI: 10.1021/jm980147p
BindingDB Entry DOI: 10.7270/Q2765G10
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50403649
PNG
(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
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12n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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14n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from CHO cells expressing human recombinant Adenosine A1 receptor


Bioorg Med Chem Lett 11: 1931-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00347-x
BindingDB Entry DOI: 10.7270/Q2NZ8866
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179051
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@H](C)c3ccccc3)ncnc12
Show InChI InChI=1S/C21H25N7O5/c1-3-22-19(31)16-14(29)15(30)20(33-16)28-10-25-13-17(23-9-24-18(13)28)27-21(32)26-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,29-30H,3H2,1-2H3,(H,22,31)(H2,23,24,26,27,32)/t11-,14+,15-,16+,20-/m1/s1
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16n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against rat adenosine A3 receptor expressed in CHO cells using [125I]-.


J Med Chem 41: 3174-85 (1998)


Article DOI: 10.1021/jm980147p
BindingDB Entry DOI: 10.7270/Q2765G10
More data for this
Ligand-Target Pair
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