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Compile Data Set for Download or QSAR

Found 122 hits of ec50 data for polymerid = 11048,3629   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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...


Citation and Details
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)

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=1/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/s2
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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...


Citation and Details
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...


Citation and Details
Checked by Author
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...


Citation and Details
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)

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)

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...


Citation and Details
Checked by Author
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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n/an/an/an/a 5n/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...


Citation and Details
Checked by Author
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=1/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/s2
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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)

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...


Citation and Details
Checked by Author
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...


Citation and Details
Checked by Author
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
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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...


Citation and Details
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
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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...


Citation and Details
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...


Citation and Details
Checked by Author
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
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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...


Citation and Details
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...


Citation and Details
Checked by Author
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
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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...


Citation and Details
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)

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...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000205
PNG
(CHEMBL344551)
Show SMILES C(Oc1ccccc1-c1cc[nH]n1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-12(18-9-13-14-7-8-15-13)10(3-1)11-5-6-16-17-11/h1-6H,7-9H2,(H,14,15)(H,16,17)
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n/an/an/an/a 79n/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...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421594
PNG
(CHEMBL356605)
Show SMILES C(Oc1ccccc1-c1cccnc1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-6-14(19-11-15-17-8-9-18-15)13(5-1)12-4-3-7-16-10-12/h1-7,10H,8-9,11H2,(H,17,18)
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n/an/an/an/a 79n/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...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50198639
PNG
(CHEMBL3894175)
Show SMILES CC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1
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n/an/an/an/a 105n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50067213
PNG
(CHEMBL3400594)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCCCN2CCCC2=O)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H31F2N3O.ClH/c26-22-9-5-20(6-10-22)25(21-7-11-23(27)12-8-21)30-18-16-28(17-19-30)13-1-2-14-29-15-3-4-24(29)31;/h5-12,25H,1-4,13-19H2;1H
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n/an/an/an/a 131n/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)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50067219
PNG
(CHEMBL3400595)
Show SMILES Oc1ccccc1N1CCN(CCCCN2CCCC2=O)CC1
Show InChI InChI=1S/C18H27N3O2/c22-17-7-2-1-6-16(17)20-14-12-19(13-15-20)9-3-4-10-21-11-5-8-18(21)23/h1-2,6-7,22H,3-5,8-15H2
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n/an/an/an/a 165n/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)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50067225
PNG
(CHEMBL3400598)
Show SMILES O=C1CCCN1CCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H33N3O/c29-24-14-9-17-27(24)16-8-7-15-26-18-20-28(21-19-26)25(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,10-13,25H,7-9,14-21H2
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n/an/an/an/a 289n/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)

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


(Rattus norvegicus (rat))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
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n/an/an/an/a 320n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Eeffective concentration of the compound was determined in vitro against rat spleen Alpha-1B adrenergic receptor indicates EC50 < 15% at a concentrat...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50198642
PNG
(CHEMBL3948333)
Show SMILES COc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(OC)c(OC)c1
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n/an/an/an/a 461n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50198646
PNG
(CHEMBL3986337)
Show SMILES COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cncc3ccccc23)CC1
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n/an/an/an/a 515n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50198647
PNG
(CHEMBL3968662)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)NCC1CCN(CCOc2ccccc2OC)CC1
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n/an/an/an/a 599n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50377389
PNG
(CHEMBL256983)
Show SMILES C1Cc2c(cccc2-c2cc[nH]n2)C1c1ncc[nH]1
Show InChI InChI=1S/C15H14N4/c1-2-10-11(12(3-1)14-6-7-18-19-14)4-5-13(10)15-16-8-9-17-15/h1-3,6-9,13H,4-5H2,(H,16,17)(H,18,19)
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n/an/an/an/a 600n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50198643
PNG
(CHEMBL3939560)
Show SMILES COc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1cncc2ccccc12
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n/an/an/an/a 608n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000218
PNG
(CHEMBL143973)
Show SMILES C(Oc1ccccc1-c1cnccn1)C1=NCCN1
Show InChI InChI=1S/C14H14N4O/c1-2-4-13(19-10-14-17-7-8-18-14)11(3-1)12-9-15-5-6-16-12/h1-6,9H,7-8,10H2,(H,17,18)
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n/an/an/an/a 631n/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...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50258563
PNG
((S)-6-(2-(pyridin-3-yl)phenyl)-6,7-dihydro-5H-pyrr...)
Show SMILES C1[C@H](Cn2ccnc12)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C17H15N3/c1-2-6-16(14-10-17-19-8-9-20(17)12-14)15(5-1)13-4-3-7-18-11-13/h1-9,11,14H,10,12H2/t14-/m1/s1
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n/an/an/an/a 760n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50377396
PNG
(CHEMBL258007)
Show SMILES C1CC(c2ncc[nH]2)c2ccccc2C1
Show InChI InChI=1S/C13H14N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,8-9,12H,3,5,7H2,(H,14,15)
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n/an/an/an/a 791n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50377387
PNG
(CHEMBL260720)
Show SMILES Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C16H16N4/c1-10-15(9-19-20-10)12-4-2-3-11-13(12)5-6-14(11)16-17-7-8-18-16/h2-4,7-9,14H,5-6H2,1H3,(H,17,18)(H,19,20)
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n/an/an/an/a 902n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50258640
PNG
(2-(2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)-...)
Show SMILES Fc1ccc(-c2ncco2)c(c1)C1Cc2nccn2C1
Show InChI InChI=1S/C15H12FN3O/c16-11-1-2-12(15-18-4-6-20-15)13(8-11)10-7-14-17-3-5-19(14)9-10/h1-6,8,10H,7,9H2
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n/an/an/an/a 990n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50259486
PNG
(6-(2-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]im...)
Show SMILES Clc1ccccc1C1Cc2nccn2C1
Show InChI InChI=1S/C12H11ClN2/c13-11-4-2-1-3-10(11)9-7-12-14-5-6-15(12)8-9/h1-6,9H,7-8H2
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n/an/an/an/a 1.10E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3118-21 (2009)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50258560
PNG
((S)-2-(2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-...)
Show SMILES C1[C@H](Cn2ccnc12)c1ccccc1-c1ncco1
Show InChI InChI=1S/C15H13N3O/c1-2-4-13(15-17-6-8-19-15)12(3-1)11-9-14-16-5-7-18(14)10-11/h1-8,11H,9-10H2/t11-/m1/s1
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n/an/an/an/a>1.40E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50259534
PNG
(6-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]im...)
Show SMILES Fc1ccccc1C1Cc2nccn2C1
Show InChI InChI=1S/C12H11FN2/c13-11-4-2-1-3-10(11)9-7-12-14-5-6-15(12)8-9/h1-6,9H,7-8H2
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n/an/an/an/a 1.77E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3118-21 (2009)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421513
PNG
(CHEMBL421011)
Show SMILES CCN(CC)C(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H22N4O/c1-3-19(4-2)15(20)12-7-5-6-8-13(12)18-11-14-16-9-10-17-14/h5-8,18H,3-4,9-11H2,1-2H3,(H,16,17)
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n/an/an/an/a 2.00E+3n/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...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50000200
PNG
(CHEMBL117914)
Show SMILES CCN(CC)C(=O)c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-3-18(4-2)15(19)12-7-5-6-8-13(12)20-11-14-16-9-10-17-14/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
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n/an/an/an/a<5.01E+3n/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...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50258559
PNG
((S)-6-(2-(pyrimidin-5-yl)phenyl)-6,7-dihydro-5H-py...)
Show SMILES C1[C@H](Cn2ccnc12)c1ccccc1-c1cncnc1
Show InChI InChI=1S/C16H14N4/c1-2-4-15(13-8-17-11-18-9-13)14(3-1)12-7-16-19-5-6-20(16)10-12/h1-6,8-9,11-12H,7,10H2/t12-/m1/s1
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n/an/an/an/a>6.50E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50108094
PNG
(CHEMBL3601200)
Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12
Show InChI InChI=1/C19H24N4O4S/c1-13-17-7-6-16(11-18(17)22-21-13)27-9-8-20-12-19(24)14-4-3-5-15(10-14)23-28(2,25)26/h3-7,10-11,19-20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t19-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1B-adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50256563
PNG
((R)-2-(5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-i...)
Show SMILES COCc1c2CC[C@@H](c3ncc[nH]3)c2ccc1Cl
Show InChI InChI=1S/C14H15ClN2O/c1-18-8-12-10-2-3-11(14-16-6-7-17-14)9(10)4-5-13(12)15/h4-7,11H,2-3,8H2,1H3,(H,16,17)/t11-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50258517
PNG
((S)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)...)
Show SMILES N#Cc1ccccc1[C@@H]1Cc2nccn2C1
Show InChI InChI=1S/C13H11N3/c14-8-10-3-1-2-4-12(10)11-7-13-15-5-6-16(13)9-11/h1-6,11H,7,9H2/t11-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50258518
PNG
((S)-6-(biphenyl-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a...)
Show SMILES C1[C@H](Cn2ccnc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C18H16N2/c1-2-6-14(7-3-1)16-8-4-5-9-17(16)15-12-18-19-10-11-20(18)13-15/h1-11,15H,12-13H2/t15-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50258561
PNG
((R)-2-(2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-...)
Show SMILES C1[C@@H](Cn2ccnc12)c1ccccc1-c1ncco1
Show InChI InChI=1S/C15H13N3O/c1-2-4-13(15-17-6-8-19-15)12(3-1)11-9-14-16-5-7-18(14)10-11/h1-8,11H,9-10H2/t11-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50258592
PNG
((S)-2'-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl...)
Show SMILES CNC(=O)c1cccc(c1)-c1ccccc1[C@@H]1Cc2nccn2C1
Show InChI InChI=1S/C20H19N3O/c1-21-20(24)15-6-4-5-14(11-15)17-7-2-3-8-18(17)16-12-19-22-9-10-23(19)13-16/h2-11,16H,12-13H2,1H3,(H,21,24)/t16-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50258593
PNG
(6-(4-fluoro-2-(pyrimidin-5-yl)phenyl)-6,7-dihydro-...)
Show SMILES Fc1ccc(C2Cc3nccn3C2)c(c1)-c1cncnc1
Show InChI InChI=1S/C16H13FN4/c17-13-1-2-14(11-5-16-20-3-4-21(16)9-11)15(6-13)12-7-18-10-19-8-12/h1-4,6-8,10-11H,5,9H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
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