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Compile Data Set for Download or QSAR

Found 17 hits of ec50 data for polymerid = 49000229,49000231,49000232,50007036   
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
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50212995
PNG
(CHEMBL75030)
Show SMILES C1CN=C(NC2CCCc3ccccc23)O1
Show InChI InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
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n/an/an/an/a 3.5n/an/an/an/a


TBA

Assay Description
Agonistic activity towards human Alpha-2B adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine m...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50212997
PNG
(CHEMBL310335)
Show SMILES CCC[C@H]1CCCCC1NC1=NCCO1
Show InChI InChI=1S/C12H22N2O/c1-2-5-10-6-3-4-7-11(10)14-12-13-8-9-15-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11?/m0/s1
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n/an/an/an/a 9.30n/an/an/an/a


TBA

Assay Description
Agonistic activity towards human Alpha-2B adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine m...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50212996
PNG
(CHEMBL306377)
Show SMILES C1COC(NC2CCCc3ccccc23)=NC1
Show InChI InChI=1S/C14H18N2O/c1-2-7-12-11(5-1)6-3-8-13(12)16-14-15-9-4-10-17-14/h1-2,5,7,13H,3-4,6,8-10H2,(H,15,16)
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n/an/an/an/a 35n/an/an/an/a


TBA

Assay Description
Agonistic activity towards human Alpha-2B adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine m...


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


(NEONATAL RAT)
BDBM50055832
PNG
((1H-Imidazol-2-yl)-(5-methyl-2,3-dihydro-benzo[1,4...)
Show SMILES Cc1c(Nc2ncc[nH]2)ccc2OCCOc12
Show InChI InChI=1S/C12H13N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-5H,6-7H2,1H3,(H2,13,14,15)
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n/an/an/an/a 41n/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective Concentration at Alpha-2B adrenergic receptor from CHO-RNG cells


J Med Chem 40: 18-23 (1997)

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


(NEONATAL RAT)
BDBM34572
PNG
(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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n/an/an/an/a 55n/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective Concentration at Alpha-2B adrenergic receptor from CHO-RNG cells


J Med Chem 40: 18-23 (1997)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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n/an/an/an/a 78n/an/an/an/a


TBA

Assay Description
Alpha-2B adrenergic receptor agonistic potency as inhibition of forskolin-stimulated cyclic adenosine monophosphate synthesis


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1N=C1NCCN1
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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n/an/an/an/a 166n/an/an/an/a


TBA

Assay Description
Agonistic activity towards human Alpha-2B adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine m...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50212993
PNG
(CHEMBL305928)
Show SMILES C1CN=C(NC2CCCCCC2)O1
Show InChI InChI=1S/C10H18N2O/c1-2-4-6-9(5-3-1)12-10-11-7-8-13-10/h9H,1-8H2,(H,11,12)
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n/an/an/an/a 214n/an/an/an/a


TBA

Assay Description
Agonistic activity towards human Alpha-2B adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine m...


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


(NEONATAL RAT)
BDBM50055830
PNG
((1H-Imidazol-2-yl)-(5-methyl-3,4-dihydro-2H-benzo[...)
Show SMILES Cc1c(Nc2ncc[nH]2)ccc2OCCNc12
Show InChI InChI=1S/C12H14N4O/c1-8-9(16-12-14-4-5-15-12)2-3-10-11(8)13-6-7-17-10/h2-5,13H,6-7H2,1H3,(H2,14,15,16)
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n/an/an/an/a 470n/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective Concentration at Alpha-2B adrenergic receptor from CHO-RNG cells


J Med Chem 40: 18-23 (1997)

More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50070328
PNG
(CHEBI:8862 | RILMENIDINE | Rilmenidine)
Show SMILES C1CC1C(NC1=NCCO1)C1CC1
Show InChI InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)
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n/an/an/an/a 724n/an/an/an/a


TBA

Assay Description
Agonistic activity towards human Alpha-2B adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine m...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50027031
PNG
((2-Chloro-phenyl)-(4,5-dihydro-1H-imidazol-2-ylmet...)
Show SMILES Clc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C10H12ClN3/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4,14H,5-7H2,(H,12,13)
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n/an/an/an/a 776n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2b-AR expressed in CHO cells assessed as rate of acidification after 240 mins by cytosensor microphysiometric analysis


ACS Med Chem Lett 7: 956-961 (2016)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50213028
PNG
(CHEMBL74283)
Show SMILES Brc1c(NC2=NCCN2)ccc2NCCNc12
Show InChI InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
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n/an/an/an/a 891n/an/an/an/a


TBA

Assay Description
Alpha-2B adrenergic receptor agonistic potency as inhibition of forskolin-stimulated cyclic adenosine monophosphate synthesis


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50000214
PNG
(CHEMBL337862)
Show SMILES C(Nc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9,19H,10-12H2,(H,17,18)
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n/an/an/an/a 955n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2b-AR expressed in CHO cells assessed as rate of acidification after 240 mins by cytosensor microphysiometric analysis


ACS Med Chem Lett 7: 956-961 (2016)

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


(NEONATAL RAT)
BDBM50055835
PNG
((4-tert-Butyl-3-methoxy-2,6-dimethyl-phenyl)-(1H-i...)
Show SMILES COc1c(C)c(Nc2ncc[nH]2)c(C)cc1C(C)(C)C
Show InChI InChI=1S/C16H23N3O/c1-10-9-12(16(3,4)5)14(20-6)11(2)13(10)19-15-17-7-8-18-15/h7-9H,1-6H3,(H2,17,18,19)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective Concentration at Alpha-2B adrenergic receptor from CHO-RNG cells


J Med Chem 40: 18-23 (1997)

More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50193035
PNG
(CHEMBL3961335)
Show SMILES C=CCc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H17N3/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h2-4,6-7,16H,1,5,8-10H2,(H,14,15)
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n/an/an/an/a 2.51E+3n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2b-AR expressed in CHO cells assessed as rate of acidification after 240 mins by cytosensor microphysiometric analysis


ACS Med Chem Lett 7: 956-961 (2016)

More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50193034
PNG
(CHEMBL3904276)
Show SMILES Cc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C11H15N3/c1-9-4-2-3-5-10(9)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 3.16E+3n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2b-AR expressed in CHO cells assessed as rate of acidification after 240 mins by cytosensor microphysiometric analysis


ACS Med Chem Lett 7: 956-961 (2016)

More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50193036
PNG
(CHEMBL3892351)
Show SMILES CCCc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H19N3/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h3-4,6-7,16H,2,5,8-10H2,1H3,(H,14,15)
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n/an/an/an/a 4.57E+3n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2b-AR expressed in CHO cells assessed as rate of acidification after 240 mins by cytosensor microphysiometric analysis


ACS Med Chem Lett 7: 956-961 (2016)

More data for this
Ligand-Target Pair