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Compile Data Set for Download or QSAR

Found 230 hits of ec50 data for polymerid = 11048,3629,49000190,49000199,49000200,49000203   
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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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n/an/an/an/a 0.130n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Intrinsic activity at human alpha1B adrenergic receptor expressed in CHOK1 cells co-expressing aequorin assessed as inhibition of agonist induced cal...


Bioorg Med Chem 24: 5582-5591 (2016)


Article DOI: 10.1016/j.bmc.2016.09.017
BindingDB Entry DOI: 10.7270/Q20K2BJJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219153
PNG
(CHEMBL414185)
Show SMILES COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219153
PNG
(CHEMBL414185)
Show SMILES COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219153
PNG
(CHEMBL414185)
Show SMILES COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of DiTc binding to Kv1.3 channel in human brain membranes


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
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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n/an/an/an/a 0.5n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1B adrenergic receptor (unknown origin) incubated for 30 mins prior to agonist addition measured after 5 hrs by CCF4-AM ...


Bioorg Med Chem 23: 2104-11 (2015)


Article DOI: 10.1016/j.bmc.2015.03.009
BindingDB Entry DOI: 10.7270/Q2W37Z0Z
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50067212
PNG
(CHEBI:8093 | Cyclomydril | Duo-Medihaler | PHENYLE...)
Show SMILES CNC[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
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n/an/an/an/a 0.860n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Intrinsic activity at human alpha1B adrenergic receptor expressed in CHOK1 cells co-expressing aequorin assessed as calcium mobilization measured for...


Bioorg Med Chem 24: 5582-5591 (2016)


Article DOI: 10.1016/j.bmc.2016.09.017
BindingDB Entry DOI: 10.7270/Q20K2BJJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421593
PNG
(CHEMBL357129)
Show SMILES C(Oc1ccccc1-c1ccc[nH]1)C1=NCCN1
Show InChI InChI=1S/C14H15N3O/c1-2-6-13(18-10-14-16-8-9-17-14)11(4-1)12-5-3-7-15-12/h1-7,15H,8-10H2,(H,16,17)
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n/an/an/an/a 1n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421512
PNG
(CHEMBL95523)
Show SMILES CNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H16N4O/c1-13-12(17)9-4-2-3-5-10(9)16-8-11-14-6-7-15-11/h2-5,16H,6-8H2,1H3,(H,13,17)(H,14,15)
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n/an/an/an/a 1.60n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421599
PNG
(CHEMBL155326)
Show SMILES C(Nc1ccccc1-c1ncco1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15)
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n/an/an/an/a 1.60n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
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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n/an/an/an/a 1.70n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Intrinsic activity at human alpha1B adrenergic receptor expressed in CHOK1 cells co-expressing aequorin assessed as inhibition of agonist induced cal...


Bioorg Med Chem 24: 5582-5591 (2016)


Article DOI: 10.1016/j.bmc.2016.09.017
BindingDB Entry DOI: 10.7270/Q20K2BJJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421580
PNG
(CHEMBL117248)
Show SMILES CSc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/an/an/a 2n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human alpha-1B adrenergic receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50067214
PNG
(CHEMBL3400597)
Show SMILES Cl.Clc1ccccc1N1CCN(CCCCN2CCCC2=O)CC1
Show InChI InChI=1S/C18H26ClN3O.ClH/c19-16-6-1-2-7-17(16)21-14-12-20(13-15-21)9-3-4-10-22-11-5-8-18(22)23;/h1-2,6-7H,3-5,8-15H2;1H
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n/an/an/an/a 2.5n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1B adrenergic receptor (unknown origin) incubated for 30 mins prior to agonist addition measured after 5 hrs by CCF4-AM ...


Bioorg Med Chem 23: 2104-11 (2015)


Article DOI: 10.1016/j.bmc.2015.03.009
BindingDB Entry DOI: 10.7270/Q2W37Z0Z
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50067215
PNG
(CHEMBL3400593)
Show SMILES Cc1ccccc1N1CCN(CCCCN2CCCC2=O)CC1
Show InChI InChI=1S/C19H29N3O/c1-17-7-2-3-8-18(17)21-15-13-20(14-16-21)10-4-5-11-22-12-6-9-19(22)23/h2-3,7-8H,4-6,9-16H2,1H3
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n/an/an/an/a 3.5n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1B adrenergic receptor (unknown origin) incubated for 30 mins prior to agonist addition measured after 5 hrs by CCF4-AM ...


Bioorg Med Chem 23: 2104-11 (2015)


Article DOI: 10.1016/j.bmc.2015.03.009
BindingDB Entry DOI: 10.7270/Q2W37Z0Z
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421597
PNG
(CHEMBL155327)
Show SMILES C(Nc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)
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n/an/an/an/a 3.70n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000216
PNG
(CHEMBL143801)
Show SMILES C(Oc1ccccc1-c1cccs1)C1=NCCN1
Show InChI InChI=1S/C14H14N2OS/c1-2-5-12(17-10-14-15-7-8-16-14)11(4-1)13-6-3-9-18-13/h1-6,9H,7-8,10H2,(H,15,16)
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n/an/an/an/a 4n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222910
PNG
(CHEMBL17491)
Show SMILES C(Nc1ccccc1-c1nc[nH]n1)C1=NCCN1
Show InChI InChI=1S/C12H14N6/c1-2-4-10(15-7-11-13-5-6-14-11)9(3-1)12-16-8-17-18-12/h1-4,8,15H,5-7H2,(H,13,14)(H,16,17,18)
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421641
PNG
(CHEMBL277375)
Show SMILES C(Nc1ccccc1-c1cc[nH]n1)C1=NCCN1
Show InChI InChI=1S/C13H15N5/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)(H,17,18)
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000195
PNG
(CHEMBL142784)
Show SMILES C(Oc1ccccc1-c1ccoc1)C1=NCCN1
Show InChI InChI=1S/C14H14N2O2/c1-2-4-13(18-10-14-15-6-7-16-14)12(3-1)11-5-8-17-9-11/h1-5,8-9H,6-7,10H2,(H,15,16)
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219165
PNG
(CHEMBL346380)
Show SMILES C(Nc1ccccc1-c1cccs1)C1=NCCN1
Show InChI InChI=1S/C14H15N3S/c1-2-5-12(17-10-14-15-7-8-16-14)11(4-1)13-6-3-9-18-13/h1-6,9,17H,7-8,10H2,(H,15,16)
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n/an/an/an/a 5.80n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50067212
PNG
(CHEBI:8093 | Cyclomydril | Duo-Medihaler | PHENYLE...)
Show SMILES CNC[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
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n/an/an/an/a 5.90n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Agonist activity at alpha-1B adrenergic receptor (unknown origin) after 5 hrs by CCF4-AM staining-based cellular assay


Bioorg Med Chem 23: 2104-11 (2015)


Article DOI: 10.1016/j.bmc.2015.03.009
BindingDB Entry DOI: 10.7270/Q2W37Z0Z
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219169
PNG
(CHEMBL152155)
Show SMILES C(Nc1ccccc1-c1ccco1)C1=NCCN1
Show InChI InChI=1S/C14H15N3O/c1-2-5-12(17-10-14-15-7-8-16-14)11(4-1)13-6-3-9-18-13/h1-6,9,17H,7-8,10H2,(H,15,16)
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n/an/an/an/a 6.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000197
PNG
(CHEMBL279136)
Show SMILES C(Oc1ccccc1-c1ccco1)C1=NCCN1
Show InChI InChI=1S/C14H14N2O2/c1-2-5-13(18-10-14-15-7-8-16-14)11(4-1)12-6-3-9-17-12/h1-6,9H,7-8,10H2,(H,15,16)
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000207
PNG
(CHEMBL142387)
Show SMILES C(Oc1ccccc1-c1ccns1)C1=NCCN1
Show InChI InChI=1S/C13H13N3OS/c1-2-4-11(17-9-13-14-7-8-15-13)10(3-1)12-5-6-16-18-12/h1-6H,7-9H2,(H,14,15)
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n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219159
PNG
(CHEMBL95565)
Show SMILES CC(C)CNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H22N4O/c1-11(2)9-19-15(20)12-5-3-4-6-13(12)18-10-14-16-7-8-17-14/h3-6,11,18H,7-10H2,1-2H3,(H,16,17)(H,19,20)
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n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50198641
PNG
(CHEMBL3937911)
Show SMILES COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cc(Cl)ccc2F)CC1
Show InChI InChI=1S/C21H26ClFN2O4S/c1-28-19-4-2-3-5-20(19)29-13-12-25-10-8-16(9-11-25)15-24-30(26,27)21-14-17(22)6-7-18(21)23/h2-7,14,16,24H,8-13,15H2,1H3
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n/an/an/an/a 13n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Intrinsic activity at human alpha1B adrenergic receptor expressed in CHOK1 cells co-expressing aequorin assessed as inhibition of agonist induced cal...


Bioorg Med Chem 24: 5582-5591 (2016)


Article DOI: 10.1016/j.bmc.2016.09.017
BindingDB Entry DOI: 10.7270/Q20K2BJJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50198645
PNG
(CHEMBL3895815)
Show SMILES COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2F)CC1
Show InChI InChI=1S/C21H26ClFN2O4S/c1-28-18-6-2-3-7-19(18)29-14-13-25-11-9-16(10-12-25)15-24-30(26,27)20-8-4-5-17(22)21(20)23/h2-8,16,24H,9-15H2,1H3
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n/an/an/an/a 14n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Intrinsic activity at human alpha1B adrenergic receptor expressed in CHOK1 cells co-expressing aequorin assessed as inhibition of agonist induced cal...


Bioorg Med Chem 24: 5582-5591 (2016)


Article DOI: 10.1016/j.bmc.2016.09.017
BindingDB Entry DOI: 10.7270/Q20K2BJJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50198644
PNG
(CHEMBL3956998)
Show SMILES COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C21H27ClN2O4S/c1-27-20-7-2-3-8-21(20)28-14-13-24-11-9-17(10-12-24)16-23-29(25,26)19-6-4-5-18(22)15-19/h2-8,15,17,23H,9-14,16H2,1H3
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n/an/an/an/a 16n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Intrinsic activity at human alpha1B adrenergic receptor expressed in CHOK1 cells co-expressing aequorin assessed as inhibition of agonist induced cal...


Bioorg Med Chem 24: 5582-5591 (2016)


Article DOI: 10.1016/j.bmc.2016.09.017
BindingDB Entry DOI: 10.7270/Q20K2BJJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000210
PNG
(CHEMBL422477)
Show SMILES C(Oc1ccccc1-c1ccsc1)C1=NCCN1
Show InChI InChI=1S/C14H14N2OS/c1-2-4-13(17-9-14-15-6-7-16-14)12(3-1)11-5-8-18-10-11/h1-5,8,10H,6-7,9H2,(H,15,16)
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n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000208
PNG
(CHEMBL142871)
Show SMILES C(Oc1ccccc1-c1nccs1)C1=NCCN1
Show InChI InChI=1S/C13H13N3OS/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8H,5-6,9H2,(H,14,15)
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219136
PNG
(CHEMBL99559)
Show SMILES CCCCOC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-2-3-10-20-15(19)12-6-4-5-7-13(12)18-11-14-16-8-9-17-14/h4-7,18H,2-3,8-11H2,1H3,(H,16,17)
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n/an/an/an/a 25n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421575
PNG
(CHEMBL118055)
Show SMILES CSc1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C11H13N3S/c1-15-11-5-3-2-4-10(11)13-7-9-6-12-8-14-9/h2-6,8,13H,7H2,1H3,(H,12,14)
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n/an/an/an/a 25n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human alpha-1B adrenergic receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421601
PNG
(CHEMBL154298)
Show SMILES C(Nc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H16N4/c1-2-6-14(19-11-15-17-9-10-18-15)12(5-1)13-7-3-4-8-16-13/h1-8,19H,9-11H2,(H,17,18)
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n/an/an/an/a 30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222932
PNG
(CHEMBL18256)
Show SMILES Cn1ccnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H17N5/c1-19-9-8-17-14(19)11-4-2-3-5-12(11)18-10-13-15-6-7-16-13/h2-5,8-9,18H,6-7,10H2,1H3,(H,15,16)
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n/an/an/an/a 40n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222905
PNG
(CHEMBL18069)
Show SMILES Cn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H16N6/c1-19-13(17-9-18-19)10-4-2-3-5-11(10)16-8-12-14-6-7-15-12/h2-5,9,16H,6-8H2,1H3,(H,14,15)
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n/an/an/an/a 40n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50198640
PNG
(CHEMBL3947830)
Show SMILES CC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2F)CC1
Show InChI InChI=1S/C23H30ClFN2O4S/c1-17(2)31-21-8-4-3-7-20(21)30-15-14-27-12-10-18(11-13-27)16-26-32(28,29)22-9-5-6-19(24)23(22)25/h3-9,17-18,26H,10-16H2,1-2H3
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n/an/an/an/a 42n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Intrinsic activity at human alpha1B adrenergic receptor expressed in CHOK1 cells co-expressing aequorin assessed as inhibition of agonist induced cal...


Bioorg Med Chem 24: 5582-5591 (2016)


Article DOI: 10.1016/j.bmc.2016.09.017
BindingDB Entry DOI: 10.7270/Q20K2BJJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50067221
PNG
(CHEMBL3400596)
Show SMILES Fc1ccc(N2CCN(CCCCN3CCCC3=O)CC2)c(F)c1
Show InChI InChI=1S/C18H25F2N3O/c19-15-5-6-17(16(20)14-15)22-12-10-21(11-13-22)7-1-2-8-23-9-3-4-18(23)24/h5-6,14H,1-4,7-13H2
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n/an/an/an/a 47n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1B adrenergic receptor (unknown origin) incubated for 30 mins prior to agonist addition measured after 5 hrs by CCF4-AM ...


Bioorg Med Chem 23: 2104-11 (2015)


Article DOI: 10.1016/j.bmc.2015.03.009
BindingDB Entry DOI: 10.7270/Q2W37Z0Z
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219298
PNG
(CHEMBL152725)
Show SMILES Cc1ccc(o1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H17N3O/c1-11-6-7-14(19-11)12-4-2-3-5-13(12)18-10-15-16-8-9-17-15/h2-7,18H,8-10H2,1H3,(H,16,17)
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n/an/an/an/a 47n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222907
PNG
(CHEMBL17856)
Show SMILES Cn1ccc(n1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H17N5/c1-19-9-6-13(18-19)11-4-2-3-5-12(11)17-10-14-15-7-8-16-14/h2-6,9,17H,7-8,10H2,1H3,(H,15,16)
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n/an/an/an/a 50n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219135
PNG
(CHEMBL98243)
Show SMILES CC(C)(C)OC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)11-6-4-5-7-12(11)18-10-13-16-8-9-17-13/h4-7,18H,8-10H2,1-3H3,(H,16,17)
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human alpha-1B adrenergic receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50222908
PNG
(CHEMBL273316)
Show SMILES CCn1ncnc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H18N6/c1-2-20-14(18-10-19-20)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,2,7-9H2,1H3,(H,15,16)
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219255
PNG
(CHEMBL434074)
Show SMILES Cc1nc(cs1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H16N4S/c1-10-18-13(9-19-10)11-4-2-3-5-12(11)17-8-14-15-6-7-16-14/h2-5,9,17H,6-8H2,1H3,(H,15,16)
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n/an/an/an/a 69n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421600
PNG
(CHEMBL156661)
Show SMILES C(Nc1ccccc1-c1ncccn1)C1=NCCN1
Show InChI InChI=1S/C14H15N5/c1-2-5-12(19-10-13-15-8-9-16-13)11(4-1)14-17-6-3-7-18-14/h1-7,19H,8-10H2,(H,15,16)
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n/an/an/an/a 78n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421577
PNG
(CHEMBL318544)
Show SMILES CCCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-2-7-17-14(19)11-5-3-4-6-12(11)18-10-13-15-8-9-16-13/h3-6,18H,2,7-10H2,1H3,(H,15,16)(H,17,19)
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n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219154
PNG
(CHEMBL100198)
Show SMILES CN(C)C(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H18N4O/c1-17(2)13(18)10-5-3-4-6-11(10)16-9-12-14-7-8-15-12/h3-6,16H,7-9H2,1-2H3,(H,14,15)
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n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219130
PNG
(CHEMBL95398)
Show SMILES CC(C)COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-11(2)10-20-15(19)12-5-3-4-6-13(12)18-9-14-16-7-8-17-14/h3-6,11,18H,7-10H2,1-2H3,(H,16,17)
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n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219134
PNG
(CHEMBL95333)
Show SMILES O=C(N1CCCCC1)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H22N4O/c21-16(20-10-4-1-5-11-20)13-6-2-3-7-14(13)19-12-15-17-8-9-18-15/h2-3,6-7,19H,1,4-5,8-12H2,(H,17,18)
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n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
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