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Compile Data Set for Download or QSAR

Found 3002 hits with Last Name = 'nagel' and Initial = 'j'   
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 receptor alpha-2


(RAT-NEONATAL RAT-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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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226938
PNG
(CHEMBL38829)
Show SMILES CN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C12H15N3/c1-15-10-5-3-2-4-9(10)8-11(15)12-13-6-7-14-12/h2-5,11H,6-8H2,1H3,(H,13,14)
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0.450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226949
PNG
(CHEMBL416072)
Show SMILES C=CCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C14H17N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h2-6,13H,1,7-10H2,(H,15,16)
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0.470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226962
PNG
(CHEMBL41224)
Show SMILES CN1C(Cc2cccc(Cl)c12)C1=NCCN1
Show InChI InChI=1S/C12H14ClN3/c1-16-10(12-14-5-6-15-12)7-8-3-2-4-9(13)11(8)16/h2-4,10H,5-7H2,1H3,(H,14,15)
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0.720n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019855
PNG
(2-(4,5-Dihydro-1H-imidazol-2-yl)-5-fluoro-1-methyl...)
Show SMILES CN1C(Cc2cc(F)ccc12)C1=NCCN1
Show InChI InChI=1S/C12H14FN3/c1-16-10-3-2-9(13)6-8(10)7-11(16)12-14-4-5-15-12/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
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0.910n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226939
PNG
(CHEMBL36616)
Show SMILES CCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C13H17N3/c1-2-16-11-6-4-3-5-10(11)9-12(16)13-14-7-8-15-13/h3-6,12H,2,7-9H2,1H3,(H,14,15)
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0.910n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226945
PNG
(CHEMBL38406)
Show SMILES CN1C(CCc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C13H17N3/c1-16-11-5-3-2-4-10(11)6-7-12(16)13-14-8-9-15-13/h2-5,12H,6-9H2,1H3,(H,14,15)
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225285
PNG
(CHEBI:3757 | CLONIDINE | Catapres | Catapres-Tts-1...)
Show SMILES Clc1cccc(Cl)c1NC1=NCCN1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226965
PNG
(CHEMBL39254)
Show SMILES CN1C(Cc2cc(Cl)ccc12)C1=NCCN1
Show InChI InChI=1S/C12H14ClN3/c1-16-10-3-2-9(13)6-8(10)7-11(16)12-14-4-5-15-12/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226961
PNG
(CHEMBL38788)
Show SMILES CCCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C14H19N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h3-6,13H,2,7-10H2,1H3,(H,15,16)
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226960
PNG
(CHEMBL41111)
Show SMILES C1CN=C(N1)C1Cc2ccccc2N1
Show InChI InChI=1S/C11H13N3/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,10,14H,5-7H2,(H,12,13)
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226937
PNG
(CHEMBL289153)
Show SMILES C(N1C(Cc2ccccc12)C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C18H19N3/c1-2-6-14(7-3-1)13-21-16-9-5-4-8-15(16)12-17(21)18-19-10-11-20-18/h1-9,17H,10-13H2,(H,19,20)
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226943
PNG
(CHEMBL41171)
Show SMILES CN1c2ccccc2C[C@@]1(C)C1=NCCN1
Show InChI InChI=1S/C13H17N3/c1-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16(13)2/h3-6H,7-9H2,1-2H3,(H,14,15)/t13-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226947
PNG
(CHEMBL290853)
Show SMILES CCCCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C15H21N3/c1-2-3-10-18-13-7-5-4-6-12(13)11-14(18)15-16-8-9-17-15/h4-7,14H,2-3,8-11H2,1H3,(H,16,17)
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3.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226954
PNG
(CHEMBL38660)
Show SMILES CN(CC1=NCCN1)c1ccccc1
Show InChI InChI=1S/C11H15N3/c1-14(9-11-12-7-8-13-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13)
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3.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226964
PNG
(CHEMBL41064)
Show SMILES C1CN=C(N1)C1Cc2ccccc2N1c1ccccc1
Show InChI InChI=1S/C17H17N3/c1-2-7-14(8-3-1)20-15-9-5-4-6-13(15)12-16(20)17-18-10-11-19-17/h1-9,16H,10-12H2,(H,18,19)
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4.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226940
PNG
(CHEMBL41456)
Show SMILES C(Cc1ccccc1)N1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C19H21N3/c1-2-6-15(7-3-1)10-13-22-17-9-5-4-8-16(17)14-18(22)19-20-11-12-21-19/h1-9,18H,10-14H2,(H,20,21)
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226949
PNG
(CHEMBL416072)
Show SMILES C=CCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C14H17N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h2-6,13H,1,7-10H2,(H,15,16)
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6.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes; value rang...


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226942
PNG
(CHEMBL39286)
Show SMILES C[C@H]1[C@H](N(C)c2ccccc12)C1=NCCN1
Show InChI InChI=1S/C13H17N3/c1-9-10-5-3-4-6-11(10)16(2)12(9)13-14-7-8-15-13/h3-6,9,12H,7-8H2,1-2H3,(H,14,15)/t9-,12+/m1/s1
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6.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226938
PNG
(CHEMBL38829)
Show SMILES CN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C12H15N3/c1-15-10-5-3-2-4-9(10)8-11(15)12-13-6-7-14-12/h2-5,11H,6-8H2,1H3,(H,13,14)
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes; value rang...


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226956
PNG
(CHEMBL41861)
Show SMILES CN1C(Cc2cc(Cl)cc(Cl)c12)C1=NCCN1
Show InChI InChI=1S/C12H13Cl2N3/c1-17-10(12-15-2-3-16-12)5-7-4-8(13)6-9(14)11(7)17/h4,6,10H,2-3,5H2,1H3,(H,15,16)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226944
PNG
(CHEMBL290324)
Show SMILES CSC[C@]1(Cc2ccccc2N1C)C1=NCCN1
Show InChI InChI=1S/C14H19N3S/c1-17-12-6-4-3-5-11(12)9-14(17,10-18-2)13-15-7-8-16-13/h3-6H,7-10H2,1-2H3,(H,15,16)/t14-/m1/s1
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226955
PNG
(CHEMBL37352)
Show SMILES C1CN=C(N1)C1CCc2ccccc2N1
Show InChI InChI=1S/C12H15N3/c1-2-4-10-9(3-1)5-6-11(15-10)12-13-7-8-14-12/h1-4,11,15H,5-8H2,(H,13,14)
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019855
PNG
(2-(4,5-Dihydro-1H-imidazol-2-yl)-5-fluoro-1-methyl...)
Show SMILES CN1C(Cc2cc(F)ccc12)C1=NCCN1
Show InChI InChI=1S/C12H14FN3/c1-16-10-3-2-9(13)6-8(10)7-11(16)12-14-4-5-15-12/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes; value rang...


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226946
PNG
(CHEMBL288398)
Show SMILES CC(C)N(C[C@]1(Cc2ccccc2N1C)C1=NCCN1)C(C)C
Show InChI InChI=1S/C19H30N4/c1-14(2)23(15(3)4)13-19(18-20-10-11-21-18)12-16-8-6-7-9-17(16)22(19)5/h6-9,14-15H,10-13H2,1-5H3,(H,20,21)/t19-/m1/s1
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226957
PNG
(CHEMBL43401)
Show SMILES CCOCCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C15H21N3O/c1-2-19-10-9-18-13-6-4-3-5-12(13)11-14(18)15-16-7-8-17-15/h3-6,14H,2,7-11H2,1H3,(H,16,17)
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226958
PNG
(CHEMBL38579)
Show SMILES COC[C@]1(Cc2ccccc2N1C)C1=NCCN1
Show InChI InChI=1S/C14H19N3O/c1-17-12-6-4-3-5-11(12)9-14(17,10-18-2)13-15-7-8-16-13/h3-6H,7-10H2,1-2H3,(H,15,16)/t14-/m1/s1
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38n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226967
PNG
(CHEMBL41756)
Show SMILES Cn1c(CC2=NCCN2)cc2ccccc12
Show InChI InChI=1S/C13H15N3/c1-16-11(9-13-14-6-7-15-13)8-10-4-2-3-5-12(10)16/h2-5,8H,6-7,9H2,1H3,(H,14,15)
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47n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226950
PNG
(CHEMBL289098)
Show SMILES CN1C(Cc2cc(Cc3ccccc3)ccc12)C1=NCCN1
Show InChI InChI=1S/C19H21N3/c1-22-17-8-7-15(11-14-5-3-2-4-6-14)12-16(17)13-18(22)19-20-9-10-21-19/h2-8,12,18H,9-11,13H2,1H3,(H,20,21)
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54n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226941
PNG
(CHEMBL41803)
Show SMILES C[C@@H]1[C@H](N(C)c2ccccc12)C1=NCCN1
Show InChI InChI=1S/C13H17N3/c1-9-10-5-3-4-6-11(10)16(2)12(9)13-14-7-8-15-13/h3-6,9,12H,7-8H2,1-2H3,(H,14,15)/t9-,12-/m0/s1
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72n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226952
PNG
(CHEMBL41223)
Show SMILES CN1c2ccccc2C[C@@]1(CC=C)C1=NCCN1
Show InChI InChI=1S/C15H19N3/c1-3-8-15(14-16-9-10-17-14)11-12-6-4-5-7-13(12)18(15)2/h3-7H,1,8-11H2,2H3,(H,16,17)/t15-/m0/s1
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77n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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84n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226948
PNG
(CHEMBL288337)
Show SMILES CCC[C@]1(Cc2ccccc2N1C)C1=NCCN1
Show InChI InChI=1S/C15H21N3/c1-3-8-15(14-16-9-10-17-14)11-12-6-4-5-7-13(12)18(15)2/h4-7H,3,8-11H2,1-2H3,(H,16,17)/t15-/m0/s1
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260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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332n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes; value rang...


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226963
PNG
(CHEMBL43138)
Show SMILES CN1C(CC2=NCCN2)Cc2ccccc12
Show InChI InChI=1S/C13H17N3/c1-16-11(9-13-14-6-7-15-13)8-10-4-2-3-5-12(10)16/h2-5,11H,6-9H2,1H3,(H,14,15)
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355n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226953
PNG
(CHEMBL38790)
Show SMILES C[C@@H]1Cc2ccccc2N(C)[C@@H]1C1=NCCN1
Show InChI InChI=1S/C14H19N3/c1-10-9-11-5-3-4-6-12(11)17(2)13(10)14-15-7-8-16-14/h3-6,10,13H,7-9H2,1-2H3,(H,15,16)/t10-,13+/m1/s1
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719n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226959
PNG
(CHEMBL41305)
Show SMILES C[C@@H]1Cc2ccccc2N[C@@H]1C1=NCCN1
Show InChI InChI=1S/C13H17N3/c1-9-8-10-4-2-3-5-11(10)16-12(9)13-14-6-7-15-13/h2-5,9,12,16H,6-8H2,1H3,(H,14,15)/t9-,12+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-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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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226966
PNG
(CHEMBL41103)
Show SMILES Cn1c(cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C12H13N3/c1-15-10-5-3-2-4-9(10)8-11(15)12-13-6-7-14-12/h2-5,8H,6-7H2,1H3,(H,13,14)
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226951
PNG
(CHEMBL41549)
Show SMILES C1CN=C(N1)N1CCc2ccccc12
Show InChI InChI=1S/C11H13N3/c1-2-4-10-9(3-1)5-8-14(10)11-12-6-7-13-11/h1-4H,5-8H2,(H,12,13)
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM315157
PNG
((3R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...)
Show SMILES CCC(CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C
Show InChI InChI=1S/C30H33ClN2O3/c1-3-20(16-28(34)35)26-9-6-10-27(19(26)2)33-30(36)29(22-7-4-5-8-22)23-13-11-21(12-14-23)24-15-25(31)18-32-17-24/h6,9-15,17-18,20,22,29H,3-5,7-8,16H2,1-2H3,(H,33,36)(H,34,35)
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n/an/a 0n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM315131
PNG
((2R/S)-3-[3-({(2R/S)-2-[4-(5-Chloropyridin-3-yl)ph...)
Show SMILES CC(Cc1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C)C(O)=O
Show InChI InChI=1S/C29H31ClN2O3/c1-18(29(34)35)14-23-8-5-9-26(19(23)2)32-28(33)27(21-6-3-4-7-21)22-12-10-20(11-13-22)24-15-25(30)17-31-16-24/h5,8-13,15-18,21,27H,3-4,6-7,14H2,1-2H3,(H,32,33)(H,34,35)
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n/an/a 0.188n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity ...


US Patent US10172814 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319931
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-33-6-4-16)21(32)31-15(2)19-11-29-23(30-12-19)24(25,26)27/h7-12,15-16H,3-6,13H2,1-2H3,(H,31,32)/t15-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319931
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-33-6-4-16)21(32)31-15(2)19-11-29-23(30-12-19)24(25,26)27/h7-12,15-16H,3-6,13H2,1-2H3,(H,31,32)/t15-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319931
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-33-6-4-16)21(32)31-15(2)19-11-29-23(30-12-19)24(25,26)27/h7-12,15-16H,3-6,13H2,1-2H3,(H,31,32)/t15-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319928
PNG
(N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...)
Show SMILES CC(NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C24H25ClFN3O3S/c1-14-11-28-24(33-14)18-7-17(8-20(9-18)32-13-16-3-5-31-6-4-16)23(30)29-15(2)22-21(26)10-19(25)12-27-22/h7-12,15-16H,3-6,13H2,1-2H3,(H,29,30)
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320102
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(2R)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-12-28-22(35-20)16-7-15(8-19(9-16)34-13-18-5-4-6-33-18)21(32)31-14(2)17-10-29-23(30-11-17)24(25,26)27/h7-12,14,18H,3-6,13H2,1-2H3,(H,31,32)/t14-,18-/m1/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319932
PNG
(N-[(1R)-1-(6- Methyl- pyridazin-3- yl)ethyl]-3- (5...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1
Show InChI InChI=1S/C24H28N4O3S/c1-15-4-5-22(28-27-15)17(3)26-23(29)19-10-20(24-25-13-16(2)32-24)12-21(11-19)31-14-18-6-8-30-9-7-18/h4-5,10-13,17-18H,6-9,14H2,1-3H3,(H,26,29)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)

More data for this
Ligand-Target Pair
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