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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'azzali' and Initial = 'e'   
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
Nischarin


(RAT)
BDBM50387827
PNG
(CHEMBL2058635)
Show SMILES CC1CCC(N1)=Nc1ccc(I)cc1Cl |w:6.7|
Show InChI InChI=1S/C11H12ClIN2/c1-7-2-5-11(14-7)15-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5H2,1H3,(H,14,15)
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0.178n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50021809
PNG
((2,6-Dichloro-4-iodo-phenyl)-(4,5-dihydro-1H-imida...)
Show SMILES Clc1cc(I)cc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H8Cl2IN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)
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0.794n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091345
PNG
(CHEMBL2092861)
Show SMILES C[C@@H](Cc1ccccc1)C1=NCCN1 |r,t:10|
Show InChI InChI=1S/C12H16N2/c1-10(12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81807
PNG
(ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310)
Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1
Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
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1.20n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50240366
PNG
(2-(naphthalen-2-yl)-4,5-dihydro-1H-imidazole | 2-N...)
Show SMILES C1CN=C(N1)c1ccc2ccccc2c1 |c:2|
Show InChI InChI=1S/C13H12N2/c1-2-4-11-9-12(6-5-10(11)3-1)13-14-7-8-15-13/h1-6,9H,7-8H2,(H,14,15)
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1.30n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179393
PNG
(Efaroxan)
Show SMILES CCC1(Cc2ccccc2O1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C13H16N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-6H,2,7-9H2,1H3,(H,14,15)
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4.40n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50019646
PNG
(2-(alpha-(2,6-Dichlorophenoxy)ethyl)2-imidazoline ...)
Show SMILES CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |t:12|
Show InChI InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
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5.60n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50070328
PNG
(CHEBI:8862 | Rilmenidine)
Show SMILES C1CC1C(NC1=NCCO1)C1CC1 |t:6|
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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13n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
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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19n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
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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28n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50179397
PNG
(CHEMBL1162356)
Show SMILES Clc1cccc2CN(Cc12)NC1=NCCN1 |t:13|
Show InChI InChI=1S/C11H13ClN4/c12-10-3-1-2-8-6-16(7-9(8)10)15-11-13-4-5-14-11/h1-3H,4-7H2,(H2,13,14,15)
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28n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
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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126n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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160n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50070328
PNG
(CHEBI:8862 | Rilmenidine)
Show SMILES C1CC1C(NC1=NCCO1)C1CC1 |t:6|
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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300n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50412260
PNG
(CHEMBL273485)
Show SMILES CC(Oc1ccccc1)C1=NCCN1 |t:10|
Show InChI InChI=1S/C11H14N2O/c1-9(11-12-7-8-13-11)14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)
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309n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50179398
PNG
(CHEMBL94022)
Show SMILES [H][C@@]1(C[C@]1([H])c1ccccc1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C12H14N2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11+/m1/s1
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347n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50179396
PNG
(CHEMBL1907831)
Show SMILES [H][C@@](C)(CC1=NCCN1)c1ccccc1 |r,t:4|
Show InChI InChI=1S/C12H16N2/c1-10(9-12-13-7-8-14-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m1/s1
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589n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50179395
PNG
(CHEMBL14640)
Show SMILES C(Oc1ccccc1)C1=NCCN1 |t:9|
Show InChI InChI=1S/C10H12N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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708n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179391
PNG
(CHEMBL3593723)
Show SMILES CN1CCCCC1CCn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C20H24N2/c1-21-14-7-6-8-16(21)13-15-22-19-11-4-2-9-17(19)18-10-3-5-12-20(18)22/h2-5,9-12,16H,6-8,13-15H2,1H3
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1.20E+3n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(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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1.26E+3n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50138499
PNG
(2-Phenethyl-4,5-dihydro-1H-imidazole | CHEMBL14210)
Show SMILES C(Cc1ccccc1)C1=NCCN1 |t:9|
Show InChI InChI=1S/C11H14N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5H,6-9H2,(H,12,13)
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3.72E+3n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091347
PNG
(CHEMBL71429)
Show SMILES CC(Cc1ccccc1)C1=NCCN1 |t:10|
Show InChI InChI=1S/C12H16N2/c1-10(12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)
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6.31E+3n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50179394
PNG
(CHEMBL68608)
Show SMILES CC(CC1=NCCN1)c1ccccc1 |t:3|
Show InChI InChI=1S/C12H16N2/c1-10(9-12-13-7-8-14-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)
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7.24E+3n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane by gamma counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179392
PNG
(CHEMBL3593725)
Show SMILES CN1CCCCC1CCn1cnc2ccccc12
Show InChI InChI=1S/C15H21N3/c1-17-10-5-4-6-13(17)9-11-18-12-16-14-7-2-3-8-15(14)18/h2-3,7-8,12-13H,4-6,9-11H2,1H3
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1.10E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179387
PNG
(CHEMBL3814276)
Show SMILES CC(C)CCn1c(C)cc(NCc2ccccc2)cc1=O
Show InChI InChI=1S/C18H24N2O/c1-14(2)9-10-20-15(3)11-17(12-18(20)21)19-13-16-7-5-4-6-8-16/h4-8,11-12,14,19H,9-10,13H2,1-3H3
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2.70E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179384
PNG
(CHEMBL3814220)
Show SMILES CCCCCn1c(C)cc(NCc2ccccc2)cc1=O
Show InChI InChI=1S/C18H24N2O/c1-3-4-8-11-20-15(2)12-17(13-18(20)21)19-14-16-9-6-5-7-10-16/h5-7,9-10,12-13,19H,3-4,8,11,14H2,1-2H3
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4.10E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179386
PNG
(CHEMBL3814626)
Show SMILES CC(C)CCNc1cc(C)n(CCC(C)C)c(=O)c1
Show InChI InChI=1S/C16H28N2O/c1-12(2)6-8-17-15-10-14(5)18(16(19)11-15)9-7-13(3)4/h10-13,17H,6-9H2,1-5H3
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5.20E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179382
PNG
(CHEMBL3814535)
Show SMILES CC(C)Cn1c(C)cc(NCc2ccc(cc2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C18H21F3N2O/c1-12(2)11-23-13(3)8-16(9-17(23)24)22-10-14-4-6-15(7-5-14)18(19,20)21/h4-9,12,22H,10-11H2,1-3H3
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5.80E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179383
PNG
(CHEMBL3814593)
Show SMILES CCCCCNc1cc(C)n(CCCCC)c(=O)c1
Show InChI InChI=1S/C16H28N2O/c1-4-6-8-10-17-15-12-14(3)18(16(19)13-15)11-9-7-5-2/h12-13,17H,4-11H2,1-3H3
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6.20E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179385
PNG
(CHEMBL3814521)
Show SMILES CCCCCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C18H23ClN2O/c1-3-4-5-10-21-14(2)11-17(12-18(21)22)20-13-15-6-8-16(19)9-7-15/h6-9,11-12,20H,3-5,10,13H2,1-2H3
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8.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179388
PNG
(CHEMBL3814259)
Show SMILES CC(C)CCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C18H23ClN2O/c1-13(2)8-9-21-14(3)10-17(11-18(21)22)20-12-15-4-6-16(19)7-5-15/h4-7,10-11,13,20H,8-9,12H2,1-3H3
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9.90E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179389
PNG
(CHEMBL3813724)
Show SMILES CCCCCNc1cc(C)n(Cc2ccccc2)c(=O)c1
Show InChI InChI=1S/C18H24N2O/c1-3-4-8-11-19-17-12-15(2)20(18(21)13-17)14-16-9-6-5-7-10-16/h5-7,9-10,12-13,19H,3-4,8,11,14H2,1-2H3
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1.10E+5n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179390
PNG
(CHEMBL3815157)
Show SMILES CC(C)CCNc1cc(C)n(Cc2ccccc2)c(=O)c1
Show InChI InChI=1S/C18H24N2O/c1-14(2)9-10-19-17-11-15(3)20(18(21)12-17)13-16-7-5-4-6-8-16/h4-8,11-12,14,19H,9-10,13H2,1-3H3
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1.10E+5n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498143
PNG
(CHEMBL3407602)
Show SMILES Cl.CC[C@]1(N)C[C@@H]1c1cccc(Br)c1 |r|
Show InChI InChI=1S/C11H14BrN.ClH/c1-2-11(13)7-10(11)8-4-3-5-9(12)6-8;/h3-6,10H,2,7,13H2,1H3;1H/t10-,11+;/m1./s1
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n/an/a 31n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498128
PNG
(CHEMBL3410944)
Show SMILES Cl.CC[C@]1(N)C[C@@H]1c1ccc(Br)c(F)c1 |r|
Show InChI InChI=1S/C11H13BrFN.ClH/c1-2-11(14)6-8(11)7-3-4-9(12)10(13)5-7;/h3-5,8H,2,6,14H2,1H3;1H/t8-,11+;/m1./s1
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n/an/a 35n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498142
PNG
(CHEMBL3407601)
Show SMILES Cl.CC[C@]1(N)C[C@@H]1c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C11H14ClN.ClH/c1-2-11(13)7-10(11)8-4-3-5-9(12)6-8;/h3-6,10H,2,7,13H2,1H3;1H/t10-,11+;/m1./s1
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n/an/a 38n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498137
PNG
(CHEMBL3410941)
Show SMILES Cl.N[C@]1(C[C@@H]1c1ccc(Br)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H14BrN.ClH/c16-13-8-6-11(7-9-13)14-10-15(14,17)12-4-2-1-3-5-12;/h1-9,14H,10,17H2;1H/t14-,15-;/m1./s1
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n/an/a 47n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498150
PNG
(CHEMBL3407599)
Show SMILES Cl.CC[C@]1(N)C[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C11H14FN.ClH/c1-2-11(13)7-10(11)8-4-3-5-9(12)6-8;/h3-6,10H,2,7,13H2,1H3;1H/t10-,11+;/m1./s1
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n/an/a 79n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498135
PNG
(CHEMBL3407603)
Show SMILES Cl.N[C@@]1(CCc2ccccc2)C[C@@H]1c1cccc(Br)c1 |r|
Show InChI InChI=1S/C17H18BrN.ClH/c18-15-8-4-7-14(11-15)16-12-17(16,19)10-9-13-5-2-1-3-6-13;/h1-8,11,16H,9-10,12,19H2;1H/t16-,17+;/m1./s1
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n/an/a 94n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498134
PNG
(CHEMBL3407605)
Show SMILES Cl.N[C@@]1(CCc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H18ClN.ClH/c18-15-8-6-14(7-9-15)16-12-17(16,19)11-10-13-4-2-1-3-5-13;/h1-9,16H,10-12,19H2;1H/t16-,17+;/m1./s1
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n/an/a 96n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498147
PNG
(CHEMBL3407604)
Show SMILES Cl.N[C@@]1(CCc2ccccc2)C[C@@H]1c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C17H18BrN.ClH/c18-15-8-6-14(7-9-15)16-12-17(16,19)11-10-13-4-2-1-3-5-13;/h1-9,16H,10-12,19H2;1H/t16-,17+;/m1./s1
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n/an/a 101n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498141
PNG
(CHEMBL3407597)
Show SMILES Cl.CC[C@]1(N)C[C@@H]1c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C12H14F3N.ClH/c1-2-11(16)7-10(11)8-4-3-5-9(6-8)12(13,14)15;/h3-6,10H,2,7,16H2,1H3;1H/t10-,11+;/m1./s1
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n/an/a 118n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498130
PNG
(CHEMBL3407600)
Show SMILES Cl.CC[C@]1(N)C[C@@H]1c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C11H14BrN.ClH/c1-2-11(13)7-10(11)8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H/t10-,11+;/m1./s1
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n/an/a 121n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498140
PNG
(CHEMBL3407596)
Show SMILES Cl.CC[C@]1(N)C[C@@H]1c1cccc(OC)c1 |r|
Show InChI InChI=1S/C12H17NO.ClH/c1-3-12(13)8-11(12)9-5-4-6-10(7-9)14-2;/h4-7,11H,3,8,13H2,1-2H3;1H/t11-,12+;/m1./s1
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n/an/a 123n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498144
PNG
(CHEMBL3407608)
Show SMILES Cl.N[C@]1(C[C@@H]1c1cccc(Cl)c1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C19H16ClN.ClH/c20-17-7-3-6-15(11-17)18-12-19(18,21)16-9-8-13-4-1-2-5-14(13)10-16;/h1-11,18H,12,21H2;1H/t18-,19-;/m1./s1
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n/an/a 158n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498133
PNG
(CHEMBL3407606)
Show SMILES Cl.N[C@@]1(CCc2ccccc2)C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H18FN.ClH/c18-15-8-6-14(7-9-15)16-12-17(16,19)11-10-13-4-2-1-3-5-13;/h1-9,16H,10-12,19H2;1H/t16-,17+;/m1./s1
PDB

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antibodypedia
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n/an/a 173n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498151
PNG
(CHEMBL3407598)
Show SMILES Cl.CC[C@]1(N)C[C@@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C11H14ClN.ClH/c1-2-11(13)7-10(11)8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H/t10-,11+;/m1./s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
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n/an/a 178n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498132
PNG
(CHEMBL3407612)
Show SMILES Cl.N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C16H16BrN.ClH/c17-14-8-6-13(7-9-14)15-11-16(15,18)10-12-4-2-1-3-5-12;/h1-9,15H,10-11,18H2;1H/t15-,16+;/m1./s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
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PubMed
n/an/a 187n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50498131
PNG
(CHEMBL3407613)
Show SMILES Cl.N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C16H16ClN.ClH/c17-14-8-6-13(7-9-14)15-11-16(15,18)10-12-4-2-1-3-5-12;/h1-9,15H,10-11,18H2;1H/t15-,16+;/m1./s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as s...


Eur J Med Chem 92: 377-86 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.032
BindingDB Entry DOI: 10.7270/Q2X351F5
More data for this
Ligand-Target Pair
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