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Target
Sequence
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Ki
IC50
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EC50
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Compile Data Set for Download or QSAR
Found
5
hits Enz. Inhib. hit(s) with all data for entry = 50016568
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Lysine-specific histone demethylase 1A
(Homo sapiens (Human))
BDBM50595758
(CHEMBL5207682)
Show SMILES
CNC(=O)c1cccc(c1)-c1ccc(cc1)C1CC1N(C)CCN(C)C(=O)Oc1ccc(CONC(=O)CCCCCCC(=O)Nc2ccccc2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
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AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
126
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00126
BindingDB Entry DOI:
10.7270/Q2BC43JF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A
(Homo sapiens (Human))
BDBM50595759
(CHEMBL5175995)
Show SMILES
CNC(=O)c1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@H]1N(C)CCN(C)C(=O)Oc1ccc(CONC(=O)CCCCCCC(=O)Nc2ccccc2)cc1 |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
444
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00126
BindingDB Entry DOI:
10.7270/Q2BC43JF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A
(Homo sapiens (Human))
BDBM50595760
(CHEMBL5177373)
Show SMILES
CNC(=O)c1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N(C)CCN(C)C(=O)Oc1ccc(CONC(=O)CCCCCCC(=O)Nc2ccccc2)cc1 |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
457
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00126
BindingDB Entry DOI:
10.7270/Q2BC43JF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A
(Homo sapiens (Human))
BDBM50595757
(CHEMBL5174314)
Show SMILES
CN(CCN(C)C(=O)Oc1ccc(CONC(=O)CCCCCCC(=O)Nc2ccccc2)cc1)C1CC1c1ccccc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.29E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00126
BindingDB Entry DOI:
10.7270/Q2BC43JF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A
(Homo sapiens (Human))
BDBM50113851
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES
NC1CC1c1ccccc1
Show InChI
InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
2.48E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00126
BindingDB Entry DOI:
10.7270/Q2BC43JF
More data for this
Ligand-Target Pair
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