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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50016742   
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596984
PNG
(CHEMBL5207485)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@H]1C[C@@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r|
PDB
MMDB

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80n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596980
PNG
(CHEMBL5180404)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC2(CCCN2)CC1
PDB
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596981
PNG
(CHEMBL5186476)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC2(CCNC2)CC1
PDB
MMDB

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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596973
PNG
(CHEMBL5206956)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCCc1ccccc1
PDB
MMDB

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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596982
PNG
(CHEMBL5177471)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC(CC1)N1CC2CCC(C1)N2
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596983
PNG
(CHEMBL5190070)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC(CC1)N1CC2CCC(C1)O2
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50568522
PNG
(CHEMBL4864352)
Show SMILES CN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1
PDB
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596972
PNG
(CHEMBL5172654)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1
PDB
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596974
PNG
(CHEMBL5175317)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCCc1ccc(F)cc1
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596975
PNG
(CHEMBL5184132)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cccnc1F
PDB
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596976
PNG
(CHEMBL5200476)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccnc(F)c1
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596977
PNG
(CHEMBL5179061)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cc[nH]n1
PDB
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596985
PNG
(CHEMBL5170156)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@@H]1C[C@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596978
PNG
(CHEMBL5171912)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cnn(C)c1
PDB
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596979
PNG
(CHEMBL5181710)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cscn1
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50596984
PNG
(CHEMBL5207485)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@H]1C[C@@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50596985
PNG
(CHEMBL5170156)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@@H]1C[C@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50596985
PNG
(CHEMBL5170156)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@@H]1C[C@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50596984
PNG
(CHEMBL5207485)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@H]1C[C@@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596984
PNG
(CHEMBL5207485)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@H]1C[C@@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596980
PNG
(CHEMBL5180404)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC2(CCCN2)CC1
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50568522
PNG
(CHEMBL4864352)
Show SMILES CN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1
PDB
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596981
PNG
(CHEMBL5186476)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC2(CCNC2)CC1
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596982
PNG
(CHEMBL5177471)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC(CC1)N1CC2CCC(C1)N2
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596975
PNG
(CHEMBL5184132)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cccnc1F
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596977
PNG
(CHEMBL5179061)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cc[nH]n1
PDB
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596972
PNG
(CHEMBL5172654)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1
PDB
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596974
PNG
(CHEMBL5175317)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCCc1ccc(F)cc1
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596976
PNG
(CHEMBL5200476)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccnc(F)c1
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596983
PNG
(CHEMBL5190070)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC(CC1)N1CC2CCC(C1)O2
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596973
PNG
(CHEMBL5206956)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCCc1ccccc1
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596979
PNG
(CHEMBL5181710)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cscn1
PDB
MMDB

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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596978
PNG
(CHEMBL5171912)
Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cnn(C)c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50596985
PNG
(CHEMBL5170156)
Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@@H]1C[C@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ
More data for this
Ligand-Target Pair