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Compile Data Set for Download or QSAR

Found 549 hits with Last Name = 'daelemans' and Initial = 'd'   
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


(Homo sapiens (Human))		BDBM50514737
PNG
(CHEMBL4482861)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H23N2O5P/c1-3-28-30(27,29-4-2)22(16-11-7-5-8-12-16)19-18(15-23-22)20(25)24(21(19)26)17-13-9-6-10-14-17/h5-15,18-19H,3-4H2,1-2H3
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 0.0417n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514738
PNG
(CHEMBL4536304)
Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(OC)cc1 |c:9|
Show InChI InChI=1S/C17H21N2O6P/c1-4-24-26(22,25-5-2)15-14-13(10-18-15)16(20)19(17(14)21)11-6-8-12(23-3)9-7-11/h6-10,13-15H,4-5H2,1-3H3
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 0.0537n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514722
PNG
(CHEMBL4438801)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H22N3O7P/c1-3-31-33(30,32-4-2)22(15-9-6-5-7-10-15)19-18(14-23-22)20(26)24(21(19)27)16-11-8-12-17(13-16)25(28)29/h5-14,18-19H,3-4H2,1-2H3
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 0.0661n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514727
PNG
(CHEMBL4483022)
Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C1CCCCC1)C2=O |c:9|
Show InChI InChI=1S/C16H25N2O5P/c1-3-22-24(21,23-4-2)14-13-12(10-17-14)15(19)18(16(13)20)11-8-6-5-7-9-11/h10-14H,3-9H2,1-2H3
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 0.324n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514724
PNG
(CHEMBL4535472)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C1CCCCC1)C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H29N2O5P/c1-3-28-30(27,29-4-2)22(16-11-7-5-8-12-16)19-18(15-23-22)20(25)24(21(19)26)17-13-9-6-10-14-17/h5,7-8,11-12,15,17-19H,3-4,6,9-10,13-14H2,1-2H3
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 0.977n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514745
PNG
(CHEMBL4439953)
Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1 |c:9|
Show InChI InChI=1S/C16H17ClFN2O5P/c1-3-24-26(23,25-4-2)14-13-10(8-19-14)15(21)20(16(13)22)9-5-6-12(18)11(17)7-9/h5-8,10,13-14H,3-4H2,1-2H3
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 3.20n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514739
PNG
(CHEMBL4467833)
Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C)C2=O |c:9|
Show InChI InChI=1S/C11H17N2O5P/c1-4-17-19(16,18-5-2)9-8-7(6-12-9)10(14)13(3)11(8)15/h6-9H,4-5H2,1-3H3
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 4.5n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))		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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 4.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514718
PNG
(CHEMBL4438158)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(Cc1ccccc1)C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H25N2O5P/c1-3-29-31(28,30-4-2)23(18-13-9-6-10-14-18)20-19(15-24-23)21(26)25(22(20)27)16-17-11-7-5-8-12-17/h5-15,19-20H,3-4,16H2,1-2H3
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 7.80n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514734
PNG
(CHEMBL4568994)
Show SMILES CCOP(=O)(OCC)C1(Cc2ccc(F)cc2)N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:18|
Show InChI InChI=1S/C23H24FN2O5P/c1-3-30-32(29,31-4-2)23(14-16-10-12-17(24)13-11-16)20-19(15-25-23)21(27)26(22(20)28)18-8-6-5-7-9-18/h5-13,15,19-20H,3-4,14H2,1-2H3
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 63n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514743
PNG
(CHEMBL4454147)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C22H22FN2O5P/c1-3-29-31(28,30-4-2)22(15-10-12-16(23)13-11-15)19-18(14-24-22)20(26)25(21(19)27)17-8-6-5-7-9-17/h5-14,18-19H,3-4H2,1-2H3
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 170n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514751
PNG
(CHEMBL4554450)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)C(C)(C)C)c1ccccc1 |c:9|
Show InChI InChI=1S/C20H27N2O5P/c1-6-26-28(25,27-7-2)20(14-11-9-8-10-12-14)16-15(13-21-20)17(23)22(18(16)24)19(3,4)5/h8-13,15-16H,6-7H2,1-5H3
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 170n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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 229n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514721
PNG
(CHEMBL4450506)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H21ClFN2O5P/c1-3-30-32(29,31-4-2)22(14-8-6-5-7-9-14)19-16(13-25-22)20(27)26(21(19)28)15-10-11-18(24)17(23)12-15/h5-13,16,19H,3-4H2,1-2H3
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 537n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514721
PNG
(CHEMBL4450506)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H21ClFN2O5P/c1-3-30-32(29,31-4-2)22(14-8-6-5-7-9-14)19-16(13-25-22)20(27)26(21(19)28)15-10-11-18(24)17(23)12-15/h5-13,16,19H,3-4H2,1-2H3
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 537n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514730
PNG
(CHEMBL4456882)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H21Cl2N2O5P/c1-3-30-32(29,31-4-2)22(14-8-6-5-7-9-14)19-18(13-25-22)20(27)26(21(19)28)17-11-15(23)10-16(24)12-17/h5-13,18-19H,3-4H2,1-2H3
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 603n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514731
PNG
(CHEMBL4528557)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1Cl)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H22ClN2O5P/c1-3-29-31(28,30-4-2)22(15-10-6-5-7-11-15)19-16(14-24-22)20(26)25(21(19)27)18-13-9-8-12-17(18)23/h5-14,16,19H,3-4H2,1-2H3
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 708n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514725
PNG
(CHEMBL4459090)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C)C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C17H21N2O5P/c1-4-23-25(22,24-5-2)17(12-9-7-6-8-10-12)14-13(11-18-17)15(20)19(3)16(14)21/h6-11,13-14H,4-5H2,1-3H3
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 1.18E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514742
PNG
(CHEMBL4587519)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CC)C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C18H23N2O5P/c1-4-20-16(21)14-12-19-18(15(14)17(20)22,13-10-8-7-9-11-13)26(23,24-5-2)25-6-3/h7-12,14-15H,4-6H2,1-3H3
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 1.41E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514746
PNG
(CHEMBL4587003)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CCc1ccc(F)cc1)C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H26FN2O5P/c1-3-31-33(30,32-4-2)24(18-8-6-5-7-9-18)21-20(16-26-24)22(28)27(23(21)29)15-14-17-10-12-19(25)13-11-17/h5-13,16,20-21H,3-4,14-15H2,1-2H3
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 2.24E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514728
PNG
(CHEMBL4533687)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C28H27N2O6P/c1-3-34-37(33,35-4-2)28(20-11-7-5-8-12-20)25-24(19-29-28)26(31)30(27(25)32)21-15-17-23(18-16-21)36-22-13-9-6-10-14-22/h5-19,24-25H,3-4H2,1-2H3
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 3.72E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 4.50E+3n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514750
PNG
(CHEMBL4475933)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)cc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H22FN2O5P/c1-3-29-31(28,30-4-2)22(15-8-6-5-7-9-15)19-18(14-24-22)20(26)25(21(19)27)17-12-10-16(23)11-13-17/h5-14,18-19H,3-4H2,1-2H3
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 4.57E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514747
PNG
(CHEMBL151697)
Show SMILES c1c[nH]c(n1)-c1cc2ccccc2o1
Show InChI InChI=1S/C11H8N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-7H,(H,12,13)
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 6.76E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514729
PNG
(CHEMBL4459403)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1 |c:9|
Show InChI InChI=1S/C22H20Cl3N2O5P/c1-3-31-33(30,32-4-2)22(13-8-6-5-7-9-13)18-15(12-26-22)20(28)27(21(18)29)19-16(24)10-14(23)11-17(19)25/h5-12,15,18H,3-4H2,1-2H3
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 6.92E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514719
PNG
(CHEMBL4590209)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C28H27N2O5P/c1-3-34-36(33,35-4-2)28(22-13-9-6-10-14-22)25-24(19-29-28)26(31)30(27(25)32)23-17-15-21(16-18-23)20-11-7-5-8-12-20/h5-19,24-25H,3-4H2,1-2H3
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 7.59E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514726
PNG
(CHEMBL4546903)
Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C16H19N2O5P/c1-3-22-24(21,23-4-2)14-13-12(10-17-14)15(19)18(16(13)20)11-8-6-5-7-9-11/h5-10,12-14H,3-4H2,1-2H3
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 9.55E+3n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50572699
PNG
(CHEMBL4858960)
Show SMILES Cl.Brc1ccc2oc(cc2c1)-c1ncc[nH]1
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 1.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 1.54E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 1.59E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase L100I mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514741
PNG
(CHEMBL4476557)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(cc1)C(F)(F)F)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H22F3N2O5P/c1-3-32-34(31,33-4-2)22(15-8-6-5-7-9-15)19-18(14-27-22)20(29)28(21(19)30)17-12-10-16(11-13-17)23(24,25)26/h5-14,18-19H,3-4H2,1-2H3
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 1.86E+4n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 2.00E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase G190A mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514723
PNG
(CHEMBL4534152)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(OC)cc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H25N2O6P/c1-4-30-32(28,31-5-2)23(16-9-7-6-8-10-16)20-19(15-24-23)21(26)25(22(20)27)17-11-13-18(29-3)14-12-17/h6-15,19-20H,4-5H2,1-3H3
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 2.57E+4n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50086502
PNG
(2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...)
Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2|
Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)
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 2.63E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50226966
PNG
(CHEMBL41103)
Show SMILES Cn1c(cc2ccccc12)C1=NCCN1 |t:12|
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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 4.27E+4n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50138500
PNG
(2-((E)-Styryl)-4,5-dihydro-1H-imidazole | 2-styryl...)
Show SMILES C1CN=C(N1)\C=C\c1ccccc1 |c:2|
Show InChI InChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2,(H,12,13)/b7-6+
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 4.68E+4n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50514733
PNG
(CHEMBL4445396)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CC13CC4CC(CC(C4)C1)C3)C2=O)c1ccccc1 |c:9,TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C27H35N2O5P/c1-3-33-35(32,34-4-2)27(21-8-6-5-7-9-21)23-22(16-28-27)24(30)29(25(23)31)17-26-13-18-10-19(14-26)12-20(11-18)15-26/h5-9,16,18-20,22-23H,3-4,10-15,17H2,1-2H3
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 4.90E+4n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
BindingDB Entry DOI: 10.7270/Q2FB569H
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50572704
PNG
(CHEMBL4857105)
Show SMILES Cl.CCn1ccnc1-c1cc2cc(OC)ccc2o1
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 6.17E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 6.33E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 6.76E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase V106A mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer compl...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063002
PNG
(CHEMBL3398101)
Show SMILES Clc1cc(Cl)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C19H14Cl3N3O3/c20-13-7-12(8-14(21)9-13)10-25-18(27)5-6-24(19(25)28)11-17(26)23-16-4-2-1-3-15(16)22/h1-9H,10-11H2,(H,23,26)
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 6.99E+4n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063023
PNG
(CHEMBL3398090)
Show SMILES Cc1cn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c(=O)n(C)c1=O
Show InChI InChI=1S/C21H20ClN3O4/c1-14-11-25(21(28)24(2)20(14)27)12-15-7-3-6-10-18(15)29-13-19(26)23-17-9-5-4-8-16(17)22/h3-11H,12-13H2,1-2H3,(H,23,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063022
PNG
(CHEMBL3398089)
Show SMILES Clc1ccccc1NC(=O)COc1ccccc1Cn1ccc(=O)n(CC=C)c1=O
Show InChI InChI=1S/C22H20ClN3O4/c1-2-12-26-21(28)11-13-25(22(26)29)14-16-7-3-6-10-19(16)30-15-20(27)24-18-9-5-4-8-17(18)23/h2-11,13H,1,12,14-15H2,(H,24,27)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063020
PNG
(CHEMBL3398088)
Show SMILES CCCn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c1=O
Show InChI InChI=1S/C22H22ClN3O4/c1-2-12-26-21(28)11-13-25(22(26)29)14-16-7-3-6-10-19(16)30-15-20(27)24-18-9-5-4-8-17(18)23/h3-11,13H,2,12,14-15H2,1H3,(H,24,27)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063019
PNG
(CHEMBL3398087)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2cc(Cl)ccc2Cl)c1=O
Show InChI InChI=1S/C20H17Cl2N3O4/c1-24-19(27)8-9-25(20(24)28)11-13-4-2-3-5-17(13)29-12-18(26)23-16-10-14(21)6-7-15(16)22/h2-10H,11-12H2,1H3,(H,23,26)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063018
PNG
(CHEMBL3398086)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C20H18ClN3O4/c1-23-19(26)10-11-24(20(23)27)12-14-4-2-3-5-17(14)28-13-18(25)22-16-8-6-15(21)7-9-16/h2-11H,12-13H2,1H3,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063017
PNG
(CHEMBL3398085)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C20H18ClN3O4/c1-23-19(26)9-10-24(20(23)27)12-14-5-2-3-8-17(14)28-13-18(25)22-16-7-4-6-15(21)11-16/h2-11H,12-13H2,1H3,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063010
PNG
(CHEMBL3398082)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccccc2)c1=O
Show InChI InChI=1S/C20H19N3O4/c1-22-19(25)11-12-23(20(22)26)13-15-7-5-6-10-17(15)27-14-18(24)21-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,21,24)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063014
PNG
(CHEMBL3398084)
Show SMILES Cn1c(=O)ccn(Cc2ccccc2OCC(=O)Nc2ccccc2Cl)c1=O
Show InChI InChI=1S/C20H18ClN3O4/c1-23-19(26)10-11-24(20(23)27)12-14-6-2-5-9-17(14)28-13-18(25)22-16-8-4-3-7-15(16)21/h2-11H,12-13H2,1H3,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50063013
PNG
(CHEMBL3398083)
Show SMILES Cc1ccccc1NC(=O)COc1ccccc1Cn1ccc(=O)n(C)c1=O
Show InChI InChI=1S/C21H21N3O4/c1-15-7-3-5-9-17(15)22-19(25)14-28-18-10-6-4-8-16(18)13-24-12-11-20(26)23(2)21(24)27/h3-12H,13-14H2,1-2H3,(H,22,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and...

Bioorg Med Chem 23: 1069-81 (2015)


Article DOI: 10.1016/j.bmc.2015.01.002
BindingDB Entry DOI: 10.7270/Q2RR20XW
More data for this
Ligand-Target Pair
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