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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50048759   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226932
PNG
(CHEMBL559829)
Show SMILES Cl.Cc1c(CC2=NCCN2)ccc2ccccc12 |t:4|
Show InChI InChI=1S/C15H16N2/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12/h2-7H,8-10H2,1H3,(H,16,17)
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6.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226924
PNG
(CHEMBL545647)
Show SMILES Cl.CC1=C(CC2=NCCN2)Cc2ccccc12 |c:1,t:4|
Show InChI InChI=1S/C14H16N2/c1-10-12(9-14-15-6-7-16-14)8-11-4-2-3-5-13(10)11/h2-5H,6-9H2,1H3,(H,15,16)
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6.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(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 |c:2|
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
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(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 |c:2|
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
Ability to displace [3H]-clonidine from alpha-1 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226929
PNG
(CHEMBL545646)
Show SMILES Cl.CC1=C(CC2=NCCN2)CCc2ccccc12 |c:1,t:4|
Show InChI InChI=1S/C15H18N2/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12/h2-5H,6-10H2,1H3,(H,16,17)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226929
PNG
(CHEMBL545646)
Show SMILES Cl.CC1=C(CC2=NCCN2)CCc2ccccc12 |c:1,t:4|
Show InChI InChI=1S/C15H18N2/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12/h2-5H,6-10H2,1H3,(H,16,17)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50454831
PNG
(Napamezole)
Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7|
Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50454831
PNG
(Napamezole)
Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7|
Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226928
PNG
(CHEMBL553439)
Show SMILES Cl.CC(C1=NCCN1)C1=Cc2ccccc2CC1 |t:2,8|
Show InChI InChI=1S/C15H18N2.ClH/c1-11(15-16-8-9-17-15)13-7-6-12-4-2-3-5-14(12)10-13;/h2-5,10-11H,6-9H2,1H3,(H,16,17);1H
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32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50057120
PNG
(2-Naphthalen-2-ylmethyl-4,5-dihydro-1H-imidazole |...)
Show SMILES C(C1=NCCN1)c1ccc2ccccc2c1 |t:1|
Show InChI InChI=1S/C14H14N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-6,9H,7-8,10H2,(H,15,16)
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48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222218
PNG
(CHEBI:51137 | Mianserin)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
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76n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226927
PNG
(CHEMBL544701)
Show SMILES Cl.C(C1=Cc2ccccc2C1)C1=NCCN1 |t:1,12|
Show InChI InChI=1S/C13H14N2/c1-2-4-12-8-10(7-11(12)3-1)9-13-14-5-6-15-13/h1-4,7H,5-6,8-9H2,(H,14,15)
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76n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50454831
PNG
(Napamezole)
Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7|
Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)
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78n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from alpha-1 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(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 |r|
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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78n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226930
PNG
(CHEMBL35345)
Show SMILES CC1=C(Cc2ncc[nH]2)CCc2ccccc12 |c:1|
Show InChI InChI=1S/C15H16N2/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12/h2-5,8-9H,6-7,10H2,1H3,(H,16,17)
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88n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226926
PNG
(CHEMBL544706)
Show SMILES Cl.[H][C@]1(CC2=NCCN2)CCc2ccccc2[C@H]1C |r,t:3|
Show InChI InChI=1S/C15H20N2.ClH/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12;/h2-5,11,13H,6-10H2,1H3,(H,16,17);1H/t11-,13+;/m0./s1
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135n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226929
PNG
(CHEMBL545646)
Show SMILES Cl.CC1=C(CC2=NCCN2)CCc2ccccc12 |c:1,t:4|
Show InChI InChI=1S/C15H18N2/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12/h2-5H,6-10H2,1H3,(H,16,17)
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148n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from alpha-1 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D 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 |c:2|
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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261n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from alpha-1 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226921
PNG
(CHEMBL544704)
Show SMILES Cl.CC1=C(CC2=NCCCN2)CCc2ccccc12 |c:1,t:4|
Show InChI InChI=1S/C16H20N2/c1-12-14(11-16-17-9-4-10-18-16)8-7-13-5-2-3-6-15(12)13/h2-3,5-6H,4,7-11H2,1H3,(H,17,18)
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334n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226923
PNG
(CHEMBL544705)
Show SMILES Cl.[H][C@]1(CC2=NCCN2)CCc2ccccc2[C@@H]1C |r,t:3|
Show InChI InChI=1S/C15H20N2.ClH/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12;/h2-5,11,13H,6-10H2,1H3,(H,16,17);1H/t11-,13-;/m1./s1
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401n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226925
PNG
(CHEMBL553103)
Show SMILES Cl.CN1CCN=C1CC1=C(C)c2ccccc2CC1 |c:4,8|
Show InChI InChI=1S/C16H20N2/c1-12-14(11-16-17-9-10-18(16)2)8-7-13-5-3-4-6-15(12)13/h3-6H,7-11H2,1-2H3
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436n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226931
PNG
(CHEMBL553368)
Show SMILES Cl.CCN1CCN=C1CC1=C(C)c2ccccc2CC1 |c:5,9|
Show InChI InChI=1S/C17H22N2/c1-3-19-11-10-18-17(19)12-15-9-8-14-6-4-5-7-16(14)13(15)2/h4-7H,3,8-12H2,1-2H3
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548n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226922
PNG
(CHEMBL543535)
Show SMILES Cl.CC1CN=C(CC2=C(C)c3ccccc3CC2)N1 |c:6,t:3|
Show InChI InChI=1S/C16H20N2.ClH/c1-11-10-17-16(18-11)9-14-8-7-13-5-3-4-6-15(13)12(14)2;/h3-6,11H,7-10H2,1-2H3,(H,17,18);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro


J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair