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Compile Data Set for Download or QSAR

Found 527 hits with Last Name = 'patane' and Initial = 'm'   
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))
BDBM50090647
PNG
((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)
Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Tested for binding affinity against recombinant human Alpha-1A adrenergic receptor using [125I]HEAT in competition binding assay


Bioorg Med Chem Lett 10: 2705-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00524-2
BindingDB Entry DOI: 10.7270/Q2ZW1K5X
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.200n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1D adrenergi...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.200n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1B adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.210n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adrenergi...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.300n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1A adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.300n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1D adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.390n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1A adrenergi...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50102245
PNG
(4-(2-Chloro-phenyl)-1-[3-(2,5-dioxo-3,3-di-p-tolyl...)
Show SMILES Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C33H34ClN3O2/c1-24-8-12-26(13-9-24)33(27-14-10-25(2)11-15-27)22-30(38)37(31(33)39)19-5-18-36-20-16-32(23-35,17-21-36)28-6-3-4-7-29(28)34/h3-4,6-15H,5,16-22H2,1-2H3
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0.480n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071685
PNG
((1R,3S,4S)-1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro...)
Show SMILES CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H29ClN2O5S/c1-2-33-25(30)22-17-27(15-12-20(22)18-8-4-3-5-9-18)13-6-7-14-28-24(29)21-16-19(26)10-11-23(21)34(28,31)32/h3-5,8-11,16,20,22H,2,6-7,12-15,17H2,1H3/t20-,22-/m1/s1
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0.510n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay


Bioorg Med Chem Lett 8: 2495-500 (1999)


Article DOI: 10.1016/s0960-894x(98)00451-x
BindingDB Entry DOI: 10.7270/Q2J38T2G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182065
PNG
(CHEMBL205996 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCCCC1
Show InChI InChI=1S/C26H34BrFN4O2/c1-34-24-13-11-20(27)18-19(24)10-12-21-22(8-7-9-23(21)28)25(33)31-26(29)30-14-3-6-17-32-15-4-2-5-16-32/h7-9,11,13,18H,2-6,10,12,14-17H2,1H3,(H3,29,30,31,33)
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0.580n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182064
PNG
(CHEMBL383117 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(Cl)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C26H36BrClN4O2/c1-5-32(6-2)16-8-9-18(3)30-26(29)31-25(33)22-10-7-11-23(28)21(22)14-12-19-17-20(27)13-15-24(19)34-4/h7,10-11,13,15,17-18H,5-6,8-9,12,14,16H2,1-4H3,(H3,29,30,31,33)
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0.830n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50451157
PNG
(CHEMBL2114249)
Show SMILES C[C@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Tested for binding affinity against recombinant human Alpha-1A adrenergic receptor using [125I]HEAT in competition binding assay


Bioorg Med Chem Lett 10: 2705-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00524-2
BindingDB Entry DOI: 10.7270/Q2ZW1K5X
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090310
PNG
(CHEMBL44294 | N-{3-[4-(2-Chloro-phenyl)-4-cyano-pi...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1Cl)c1ccc(C)cc1
Show InChI InChI=1S/C31H34ClN3O/c1-23-8-12-25(13-9-23)29(26-14-10-24(2)11-15-26)30(36)34-18-5-19-35-20-16-31(22-33,17-21-35)27-6-3-4-7-28(27)32/h3-4,6-15,29H,5,16-21H2,1-2H3,(H,34,36)
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0.990n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090306
PNG
(2,2-Di-p-tolyl-N-[3-(4-o-tolyl-piperazin-1-yl)-pro...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1C)c1ccc(C)cc1
Show InChI InChI=1S/C30H37N3O/c1-23-9-13-26(14-10-23)29(27-15-11-24(2)12-16-27)30(34)31-17-6-18-32-19-21-33(22-20-32)28-8-5-4-7-25(28)3/h4-5,7-16,29H,6,17-22H2,1-3H3,(H,31,34)
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1.10n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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1.20n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adren...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090307
PNG
(CHEMBL298058 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
Show InChI InChI=1S/C32H37N3O/c1-24-9-13-27(14-10-24)30(28-15-11-25(2)12-16-28)31(36)34-19-6-20-35-21-17-32(23-33,18-22-35)29-8-5-4-7-26(29)3/h4-5,7-16,30H,6,17-22H2,1-3H3,(H,34,36)
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1.30n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1D adren...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50102243
PNG
(1-[3-(2,5-Dioxo-3,3-di-p-tolyl-pyrrolidin-1-yl)-pr...)
Show SMILES Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C34H37N3O2/c1-25-9-13-28(14-10-25)34(29-15-11-26(2)12-16-29)23-31(38)37(32(34)39)20-6-19-36-21-17-33(24-35,18-22-36)30-8-5-4-7-27(30)3/h4-5,7-16H,6,17-23H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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1.90n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1B adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090305
PNG
(CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...)
Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)
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2n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090305
PNG
(CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...)
Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)
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2n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50063907
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-2-te...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adren...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50102246
PNG
(CHEMBL59590 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...)
Show SMILES Cc1ccc(cc1)C(O)(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
Show InChI InChI=1S/C32H37N3O2/c1-24-9-13-27(14-10-24)32(37,28-15-11-25(2)12-16-28)30(36)34-19-6-20-35-21-17-31(23-33,18-22-35)29-8-5-4-7-26(29)3/h4-5,7-16,37H,6,17-22H2,1-3H3,(H,34,36)
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2n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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2n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1D adren...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1D adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182072
PNG
(CHEMBL205594 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES CCN1CCC(CN=C(N)NC(=O)c2cccc(F)c2CCc2cc(Br)ccc2OC)CC1
Show InChI InChI=1S/C25H32BrFN4O2/c1-3-31-13-11-17(12-14-31)16-29-25(28)30-24(32)21-5-4-6-22(27)20(21)9-7-18-15-19(26)8-10-23(18)33-2/h4-6,8,10,15,17H,3,7,9,11-14,16H2,1-2H3,(H3,28,29,30,32)
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2.80n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071684
PNG
((R)-1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambd...)
Show SMILES CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H29ClN2O5S/c1-2-33-25(30)22-17-27(15-12-20(22)18-8-4-3-5-9-18)13-6-7-14-28-24(29)21-16-19(26)10-11-23(21)34(28,31)32/h3-5,8-11,16,20,22H,2,6-7,12-15,17H2,1H3/t20-,22?/m0/s1
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3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay


Bioorg Med Chem Lett 8: 2495-500 (1999)


Article DOI: 10.1016/s0960-894x(98)00451-x
BindingDB Entry DOI: 10.7270/Q2J38T2G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182077
PNG
(CHEMBL207946 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCN1CCCCC1
Show InChI InChI=1S/C25H32BrFN4O2/c1-33-23-12-10-19(26)17-18(23)9-11-20-21(7-5-8-22(20)27)24(32)30-25(28)29-13-6-16-31-14-3-2-4-15-31/h5,7-8,10,12,17H,2-4,6,9,11,13-16H2,1H3,(H3,28,29,30,32)
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3.20n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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3.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1D adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090309
PNG
(CHEMBL42514 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...)
Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1cccc(F)c1
Show InChI InChI=1S/C27H34FN3O/c1-20(2)25(22-9-6-10-23(28)18-22)26(32)30-14-7-15-31-16-12-27(19-29,13-17-31)24-11-5-4-8-21(24)3/h4-6,8-11,18,20,25H,7,12-17H2,1-3H3,(H,30,32)
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3.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50063906
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-1-(f...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1
Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22(32)17-7-6-10-35-17)23-26-15-12-19(34-5)18(33-4)11-14(15)20(25)27-23/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,28,31)(H2,25,26,27)/t16-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adrenergi...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068819
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C32H38N4O7/c1-21-26(28(27(22(2)34-21)30(38)42-3)23-11-13-25(14-12-23)36(40)41)29(37)33-17-8-18-35-19-15-32(16-20-35,31(39)43-4)24-9-6-5-7-10-24/h5-7,9-14,27-28H,8,15-20H2,1-4H3,(H,33,37)
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3.60n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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3.90n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1A adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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4.20n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1A adren...


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182073
PNG
(CHEMBL205468 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C26H36BrFN4O2/c1-5-32(6-2)16-8-9-18(3)30-26(29)31-25(33)22-10-7-11-23(28)21(22)14-12-19-17-20(27)13-15-24(19)34-4/h7,10-11,13,15,17-18H,5-6,8-9,12,14,16H2,1-4H3,(H3,29,30,31,33)
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4.30n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090304
PNG
(1-[3-(2,2-Di-p-tolyl-acetylamino)-propyl]-4-phenyl...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C32H38N2O3/c1-24-10-14-26(15-11-24)29(27-16-12-25(2)13-17-27)30(35)33-20-7-21-34-22-18-32(19-23-34,31(36)37-3)28-8-5-4-6-9-28/h4-6,8-17,29H,7,18-23H2,1-3H3,(H,33,35)
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5.10n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182083
PNG
(CHEMBL380854 | N-[4-(benzyl-methyl-amino)-butyl]-N...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN(C)Cc1ccccc1
Show InChI InChI=1S/C29H34BrFN4O2/c1-35(20-21-9-4-3-5-10-21)18-7-6-17-33-29(32)34-28(36)25-11-8-12-26(31)24(25)15-13-22-19-23(30)14-16-27(22)37-2/h3-5,8-12,14,16,19H,6-7,13,15,17-18,20H2,1-2H3,(H3,32,33,34,36)
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5.10n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50063907
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-2-te...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1B adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50102240
PNG
(CHEMBL61643 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...)
Show SMILES Cc1ccc(cc1)C(O)(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C31H35N3O2/c1-24-9-13-27(14-10-24)31(36,28-15-11-25(2)12-16-28)29(35)33-19-6-20-34-21-17-30(23-32,18-22-34)26-7-4-3-5-8-26/h3-5,7-16,36H,6,17-22H2,1-2H3,(H,33,35)
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5.70n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185909
PNG
(2-(3-((1-(3-(2-chlorophenoxy)benzyl)piperidin-4-yl...)
Show SMILES CC(C)(N1CCC(C1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C33H38ClN3O4/c1-32(2,31(39)40)37-20-17-33(23-37,25-10-4-3-5-11-25)30(38)35-26-15-18-36(19-16-26)22-24-9-8-12-27(21-24)41-29-14-7-6-13-28(29)34/h3-14,21,26H,15-20,22-23H2,1-2H3,(H,35,38)(H,39,40)
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6n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090316
PNG
(2-(4-Chloro-phenyl)-N-[3-(4-cyano-4-o-tolyl-piperi...)
Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H34ClN3O/c1-20(2)25(22-9-11-23(28)12-10-22)26(32)30-15-6-16-31-17-13-27(19-29,14-18-31)24-8-5-4-7-21(24)3/h4-5,7-12,20,25H,6,13-18H2,1-3H3,(H,30,32)
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6.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50090306
PNG
(2,2-Di-p-tolyl-N-[3-(4-o-tolyl-piperazin-1-yl)-pro...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1C)c1ccc(C)cc1
Show InChI InChI=1S/C30H37N3O/c1-23-9-13-26(14-10-23)29(27-15-11-24(2)12-16-27)30(34)31-17-6-18-32-19-21-33(22-20-32)28-8-5-4-7-25(28)3/h4-5,7-16,29H,6,17-22H2,1-3H3,(H,31,34)
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6.60n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1B adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50063906
PNG
((S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-1-(f...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1
Show InChI InChI=1S/C24H30N6O5/c1-24(2,3)28-21(31)16-13-29(8-9-30(16)22(32)17-7-6-10-35-17)23-26-15-12-19(34-5)18(33-4)11-14(15)20(25)27-23/h6-7,10-12,16H,8-9,13H2,1-5H3,(H,28,31)(H2,25,26,27)/t16-/m0/s1
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7n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1B adrenergic receptor


J Med Chem 41: 1205-8 (1998)


Article DOI: 10.1021/jm980053f
BindingDB Entry DOI: 10.7270/Q2XG9Q72
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090322
PNG
(CHEMBL44124 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C31H35N3O/c1-24-9-13-26(14-10-24)29(27-15-11-25(2)12-16-27)30(35)33-19-6-20-34-21-17-31(23-32,18-22-34)28-7-4-3-5-8-28/h3-5,7-16,29H,6,17-22H2,1-2H3,(H,33,35)
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7.30n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090322
PNG
(CHEMBL44124 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C31H35N3O/c1-24-9-13-26(14-10-24)29(27-15-11-25(2)12-16-27)30(35)33-19-6-20-34-21-17-31(23-32,18-22-34)28-7-4-3-5-8-28/h3-5,7-16,29H,6,17-22H2,1-2H3,(H,33,35)
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7.30n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090318
PNG
(CHEMBL297667 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1...)
Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
Show InChI InChI=1S/C28H37N3O/c1-21(2)26(24-12-10-22(3)11-13-24)27(32)30-16-7-17-31-18-14-28(20-29,15-19-31)25-9-6-5-8-23(25)4/h5-6,8-13,21,26H,7,14-19H2,1-4H3,(H,30,32)
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7.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090303
PNG
(CHEMBL42220 | N-{3-[4-Cyano-4-(2-methoxy-phenyl)-p...)
Show SMILES COc1ccccc1C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)C#N
Show InChI InChI=1S/C32H37N3O2/c1-24-9-13-26(14-10-24)30(27-15-11-25(2)12-16-27)31(36)34-19-6-20-35-21-17-32(23-33,18-22-35)28-7-4-5-8-29(28)37-3/h4-5,7-16,30H,6,17-22H2,1-3H3,(H,34,36)
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7.5n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090325
PNG
(CHEMBL295304 | N-[3-(4-Phenyl-piperidin-1-yl)-prop...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C30H36N2O/c1-23-9-13-27(14-10-23)29(28-15-11-24(2)12-16-28)30(33)31-19-6-20-32-21-17-26(18-22-32)25-7-4-3-5-8-25/h3-5,7-16,26,29H,6,17-22H2,1-2H3,(H,31,33)
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8.80n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00307-3
BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 8


(Homo sapiens (Human))
BDBM50185912
PNG
(2-(4-{1-[3-(2-chloro-phenoxy)-benzyl]-piperidin-4-...)
Show SMILES CC(C)(N1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C34H40ClN3O4/c1-33(2,32(40)41)38-21-17-34(18-22-38,26-10-4-3-5-11-26)31(39)36-27-15-19-37(20-16-27)24-25-9-8-12-28(23-25)42-30-14-7-6-13-29(30)35/h3-14,23,27H,15-22,24H2,1-2H3,(H,36,39)(H,40,41)
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9n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells


J Med Chem 49: 2669-72 (2006)


Article DOI: 10.1021/jm050965z
BindingDB Entry DOI: 10.7270/Q2GH9HJX
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50102241
PNG
(1-[3-(2,5-Dioxo-3,3-di-p-tolyl-pyrrolidin-1-yl)-2-...)
Show SMILES Cc1ccc(cc1)C1(CC(=O)N(CC(O)CN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C34H37N3O3/c1-24-8-12-27(13-9-24)34(28-14-10-25(2)11-15-28)20-31(39)37(32(34)40)22-29(38)21-36-18-16-33(23-35,17-19-36)30-7-5-4-6-26(30)3/h4-15,29,38H,16-22H2,1-3H3
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9.70n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
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