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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'mcclure' and Initial = 'de'   
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
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50318494
PNG
(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8|
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
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0.25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50016400
PNG
(2,6-Dimethyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1...)
Show SMILES CCOC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(c1SC)[N+]([O-])=O)C(=[OH+])OCC |c:5,10|
Show InChI InChI=1S/C20H24N2O6S/c1-6-27-19(23)15-11(3)21-12(4)16(20(24)28-7-2)17(15)13-9-8-10-14(22(25)26)18(13)29-5/h8-10,17H,6-7H2,1-5H3,(H,21,23,24)
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452435
PNG
(CHEMBL2110302)
Show SMILES [H][C@@]12[C@@H](C(=O)OCC)[C@@](C)(Sc3ccc(cc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:12:11:2:23.21.20,15:16:2:23.21.20,24:23:2:16.10.11|
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-9-11(21(24)25)7-8-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16+,19-/m1/s1
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50016398
PNG
(2,6-Dimethyl-4-(2-methylsulfanyl-5-nitro-phenyl)-1...)
Show SMILES CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cc(ccc1SC)[N+]([O-])=O |w:3.3,c:15,t:12|
Show InChI InChI=1S/C20H24N2O6S/c1-6-27-19(23)16-11(3)21-12(4)17(20(24)28-7-2)18(16)14-10-13(22(25)26)8-9-15(14)29-5/h8-10,18,23H,6-7H2,1-5H3
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80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452433
PNG
(CHEMBL2110168)
Show SMILES [H][C@@]12[C@H](C(=O)OCC)[C@@](C)(Sc3c(cccc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:15:16:2:23.21.20,12:11:2:23.21.20,24:23:2:11.10.16|
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)13-10(3)20-19(4)15(18(23)27-6-2)14(13)11-8-7-9-12(21(24)25)16(11)28-19/h7-9,14-15,22H,5-6H2,1-4H3/b17-13+/t14-,15-,19-/m1/s1
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452434
PNG
(CHEMBL2110303)
Show SMILES [H][C@@]12[C@@H](C(=O)OCC)[C@@](C)(Sc3ccccc13)N=C(C)\C2=C(\O)OCC |t:19,THB:15:16:2:20.18.17,12:11:2:20.18.17,21:20:2:10.16.11|
Show InChI InChI=1S/C19H23NO4S/c1-5-23-17(21)14-11(3)20-19(4)16(18(22)24-6-2)15(14)12-9-7-8-10-13(12)25-19/h7-10,15-16,21H,5-6H2,1-4H3/b17-14+/t15-,16+,19-/m1/s1
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452432
PNG
(CHEMBL2110169)
Show SMILES [H][C@@]12[C@H](C(=O)OCC)[C@@](C)(Sc3ccc(cc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:12:11:2:23.21.20,15:16:2:23.21.20,24:23:2:16.10.11|
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-9-11(21(24)25)7-8-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16-,19-/m1/s1
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650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452430
PNG
(CHEMBL2110298)
Show SMILES [H][C@@]12[C@@H](C(=O)OCC)[C@@](C)(Sc3cc(ccc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:24:23:2:10.11.16,12:11:2:23.21.20,15:16:2:23.21.20|
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-8-7-11(21(24)25)9-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16+,19-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452431
PNG
(CHEMBL2110167)
Show SMILES [H][C@@]12[C@H](C(=O)OCC)[C@@](C)(Sc3cc(ccc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:24:23:2:10.11.16,12:11:2:23.21.20,15:16:2:23.21.20|
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-8-7-11(21(24)25)9-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16-,19-/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452429
PNG
(CHEMBL2110170)
Show SMILES [H][C@@]12[C@H](C(=O)OCC)[C@@](C)(Sc3ccccc13)N=C(C)\C2=C(\O)OCC |t:19,THB:15:16:2:20.18.17,12:11:2:20.18.17,21:20:2:10.16.11|
Show InChI InChI=1S/C19H23NO4S/c1-5-23-17(21)14-11(3)20-19(4)16(18(22)24-6-2)15(14)12-9-7-8-10-13(12)25-19/h7-10,15-16,21H,5-6H2,1-4H3/b17-14+/t15-,16-,19-/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452436
PNG
(CHEMBL2110301)
Show SMILES [H][C@@]12[C@@H](C(=O)OCC)[C@@](C)(Sc3c(cccc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:15:16:2:23.21.20,12:11:2:23.21.20,24:23:2:11.10.16|
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)13-10(3)20-19(4)15(18(23)27-6-2)14(13)11-8-7-9-12(21(24)25)16(11)28-19/h7-9,14-15,22H,5-6H2,1-4H3/b17-13+/t14-,15+,19-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224790
PNG
(CHEMBL333794)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225247
PNG
(CHEMBL44558)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1OCCN2c1ccccc1)c34
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224791
PNG
(CHEMBL333795 | RU-29717)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CCC
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.


J Med Chem 25: 931-6 (1982)


BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225241
PNG
(CHEMBL42242)
Show SMILES [H][C@@]12CCc3ccc(O)cc3C1OCCN2CC
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n/an/a 3.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224790
PNG
(CHEMBL333794)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC
MMDB

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n/an/a 4.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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n/an/a 4.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart.


J Med Chem 25: 931-6 (1982)


BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225247
PNG
(CHEMBL44558)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1OCCN2c1ccccc1)c34
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF-BOVINE)
BDBM50224790
PNG
(CHEMBL333794)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225248
PNG
(CHEMBL42309)
Show SMILES [H][C@@]12CCc3ccc(O)cc3C1OCCN2
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225234
PNG
(CHEMBL41980)
Show SMILES [H][C@@]12CCc3ccc(O)cc3C1OCCN2C
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF-BOVINE)
BDBM50224790
PNG
(CHEMBL333794)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50026852
PNG
(1-Isopropylamino-3-(7-methyl-indan-4-yloxy)-propan...)
Show SMILES CC(C)NCC(O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C16H25NO2/c1-11(2)17-9-13(18)10-19-16-8-7-12(3)14-5-4-6-15(14)16/h7-8,11,13,17-18H,4-6,9-10H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.


J Med Chem 25: 931-6 (1982)


BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225235
PNG
(CHEMBL42909)
Show SMILES [H][C@@]12CCc3ccccc3C1OCCN2CC
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225240
PNG
(CHEMBL44501)
Show SMILES [H][C@@]12CCc3ccc(O)cc3C1OCCN2CCC
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50367112
PNG
(CHEMBL1788270)
Show SMILES [#6]C([#6])([#6])[#7]-[#6]-[#6@@H](-[#8])-[#6]-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12 |r|
Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3/t14-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.


J Med Chem 25: 931-6 (1982)


BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225240
PNG
(CHEMBL44501)
Show SMILES [H][C@@]12CCc3ccc(O)cc3C1OCCN2CCC
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224792
PNG
(CHEMBL332546)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC=C
MMDB

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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50026853
PNG
(CHEMBL368457 | Fluoren-9-one O-(3-tert-butylamino-...)
Show SMILES [#6]C([#6])([#6])[#7]-[#6]-[#6](-[#8])-[#6]-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.


J Med Chem 25: 931-6 (1982)


BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF-BOVINE)
BDBM50224793
PNG
(CHEMBL330997)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2C
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM81993
PNG
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM81993
PNG
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225241
PNG
(CHEMBL42242)
Show SMILES [H][C@@]12CCc3ccc(O)cc3C1OCCN2CC
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n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50367111
PNG
(CHEMBL305153)
Show SMILES [#6]C([#6])([#6])[#7]-[#6]-[#6@H](-[#8])-[#6]-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3/t14-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart.


J Med Chem 25: 931-6 (1982)


BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224793
PNG
(CHEMBL330997)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2C
MMDB

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n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50367111
PNG
(CHEMBL305153)
Show SMILES [#6]C([#6])([#6])[#7]-[#6]-[#6@H](-[#8])-[#6]-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3/t14-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.


J Med Chem 25: 931-6 (1982)


BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF-BOVINE)
BDBM50224791
PNG
(CHEMBL333795 | RU-29717)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CCC
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224795
PNG
(CHEMBL332337)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CCCC
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n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF-BOVINE)
BDBM50224790
PNG
(CHEMBL333794)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50405521
PNG
(ALO 1401-02 | ALO-1401-02 | BETAXOLOL HYDROCHLORID...)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart


J Med Chem 25: 931-6 (1982)


BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50026853
PNG
(CHEMBL368457 | Fluoren-9-one O-(3-tert-butylamino-...)
Show SMILES [#6]C([#6])([#6])[#7]-[#6]-[#6](-[#8])-[#6]-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart.


J Med Chem 25: 931-6 (1982)


BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225248
PNG
(CHEMBL42309)
Show SMILES [H][C@@]12CCc3ccc(O)cc3C1OCCN2
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n/an/a 39n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF-BOVINE)
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 363-7 (1983)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 27: 1607-13 (1984)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50367112
PNG
(CHEMBL1788270)
Show SMILES [#6]C([#6])([#6])[#7]-[#6]-[#6@@H](-[#8])-[#6]-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12 |r|
Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3/t14-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart.


J Med Chem 25: 931-6 (1982)


BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
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