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Compile Data Set for Download or QSAR

Found 35 hits of kd for UniProtKB: Q9UKL0   
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
REST corepressor 1


(Homo sapiens (Human))
BDBM50262048
PNG
(CHEMBL3134377)
Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@@H]2CCNC2)cc1-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594098
PNG
(CHEMBL5198334)
Show SMILES COc1cc2nc(NCCCN(C)CC#C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594106
PNG
(CHEMBL5202637)
Show SMILES COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCCN(C)C)nc2cc1OCc1ccccc1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594101
PNG
(CHEMBL5175171)
Show SMILES COc1cc2nc(NCCCN3CCCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594085
PNG
(CHEMBL5178765)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2cc1OC
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
REST corepressor 1


(Homo sapiens (Human))
BDBM50594086
PNG
(CHEMBL5170197)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccc(cc4)-c4ccccc4)CC3)c2cc1OC
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594100
PNG
(CHEMBL5181017)
Show SMILES COc1cc2nc(NCCCN3CCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594090
PNG
(CHEMBL5205888)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594104
PNG
(CHEMBL5200394)
Show SMILES COc1cc2nc(NC3CCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594083
PNG
(CHEMBL5179091)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CCCc4ccccc4)CC3)c2cc1OC
PDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594084
PNG
(CHEMBL5204694)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4cccc5ccccc45)CC3)c2cc1OC
PDB

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n/an/an/a 84n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594099
PNG
(CHEMBL5186174)
Show SMILES CCN(CC)CCCNc1nc(NC2CCN(Cc3ccccc3)CC2)c2cc(OC)c(OC)cc2n1
PDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594096
PNG
(CHEMBL5189695)
Show SMILES COc1cc2nc(NCCCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
PDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594092
PNG
(CHEMBL5171992)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NCC3CCN(Cc4ccccc4)CC3)c2cc1OC
PDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594107
PNG
(CHEMBL5189756)
Show SMILES COc1cc2c(NCCNc3cccc4ccccc34)nc(NCCCN(C)C)nc2cc1OCc1ccccc1
PDB

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n/an/an/a 127n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594108
PNG
(CHEMBL5175660)
Show SMILES COc1cc2nc(NCCCCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
PDB

UniProtKB/SwissProt

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n/an/an/a 127n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594082
PNG
(CHEMBL5197685)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CCc4ccccc4)CC3)c2cc1OC
PDB

UniProtKB/SwissProt

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n/an/an/a 147n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594097
PNG
(CHEMBL5175173)
Show SMILES COc1cc2nc(NCCCN(C)Cc3ccccc3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
PDB

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n/an/an/a 162n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594103
PNG
(CHEMBL5194210)
Show SMILES COc1cc2nc(NCCCN3CCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
PDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594093
PNG
(CHEMBL5191114)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NCCCNc3ccccc3)c2cc1OC
PDB

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n/an/an/a 228n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594094
PNG
(CHEMBL5194934)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NCCNc3cccc4ccccc34)c2cc1OC
PDB

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n/an/an/a 230n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594095
PNG
(CHEMBL5178617)
Show SMILES COc1cc2nc(NCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
PDB

UniProtKB/SwissProt

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n/an/an/a 237n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50507295
PNG
(CHEMBL1232432)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
Show InChI InChI=1S/C27H38N6O2/c1-32(2)14-8-13-28-27-30-23-18-25(35-4)24(34-3)17-22(23)26(31-27)29-21-11-15-33(16-12-21)19-20-9-6-5-7-10-20/h5-7,9-10,17-18,21H,8,11-16,19H2,1-4H3,(H2,28,29,30,31)
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TBA

Assay Description
Mean functional activity against human H3 receptor


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
REST corepressor 1


(Homo sapiens (Human))
BDBM50507295
PNG
(CHEMBL1232432)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
Show InChI InChI=1S/C27H38N6O2/c1-32(2)14-8-13-28-27-30-23-18-25(35-4)24(34-3)17-22(23)26(31-27)29-21-11-15-33(16-12-21)19-20-9-6-5-7-10-20/h5-7,9-10,17-18,21H,8,11-16,19H2,1-4H3,(H2,28,29,30,31)
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n/an/an/a 243n/an/an/an/an/a


TBA

Assay Description
Binding affinity to LSD1/CoREST (unknown origin) expressed in Escherichia coli


Citation and Details

Article DOI: 10.1039/d0md00141d
BindingDB Entry DOI: 10.7270/Q23R0XGK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
REST corepressor 1


(Homo sapiens (Human))
BDBM50507295
PNG
(CHEMBL1232432)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
Show InChI InChI=1S/C27H38N6O2/c1-32(2)14-8-13-28-27-30-23-18-25(35-4)24(34-3)17-22(23)26(31-27)29-21-11-15-33(16-12-21)19-20-9-6-5-7-10-20/h5-7,9-10,17-18,21H,8,11-16,19H2,1-4H3,(H2,28,29,30,31)
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
REST corepressor 1


(Homo sapiens (Human))
BDBM50594091
PNG
(CHEMBL5183341)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccccc4)C3)c2cc1OC
PDB

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n/an/an/a 251n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594087
PNG
(CHEMBL5189687)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(N(C)C3CCN(Cc4ccccc4)CC3)c2cc1OC
PDB

UniProtKB/SwissProt

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n/an/an/a 356n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594102
PNG
(CHEMBL5207435)
Show SMILES COc1cc2nc(NCCCN3CCOCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
PDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50548037
PNG
(CHEMBL2397513)
Show SMILES [H][C@@]1(CCNC(=O)[C@@]([H])(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCC[C@@H](C)CC)[C@@H](C)O |r|
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n/an/an/a 463n/an/an/an/an/a


TBA

Assay Description
Binding affinity to LSD1/CoREST (unknown origin) expressed in Escherichia coli


Citation and Details

Article DOI: 10.1039/d0md00141d
BindingDB Entry DOI: 10.7270/Q23R0XGK
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50548038
PNG
(CHEMBL3781027)
Show SMILES [H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCC[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O |r|
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n/an/an/a 594n/an/an/an/an/a


TBA

Assay Description
Binding affinity to LSD1/CoREST (unknown origin) expressed in Escherichia coli


Citation and Details

Article DOI: 10.1039/d0md00141d
BindingDB Entry DOI: 10.7270/Q23R0XGK
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594089
PNG
(CHEMBL5181174)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)C(=O)c3ccccc3)c2cc1OC
PDB

UniProtKB/SwissProt

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n/an/an/a 975n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594105
PNG
(CHEMBL5189661)
Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N(C)CCCN(C)C
PDB

UniProtKB/SwissProt

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n/an/an/a 1.30E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594081
PNG
(CHEMBL5199513)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCN(C)CC3)c2cc1OC
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.49E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594080
PNG
(CHEMBL5208341)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(NC3CCNCC3)c2cc1OC
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.56E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens (Human))
BDBM50594088
PNG
(CHEMBL5172748)
Show SMILES COc1cc2nc(NCCCN(C)C)nc(OC3CCN(Cc4ccccc4)CC3)c2cc1OC
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.85E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114410
BindingDB Entry DOI: 10.7270/Q2C53QW7
More data for this
Ligand-Target Pair