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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50018025   
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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50431015
PNG
(CHEMBL2338329 | US10889546, FG-4592 | US9115085, C...)
Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccccc3)cc12
Show InChI InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.11E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129007
BindingDB Entry DOI: 10.7270/Q2CJ8JKT
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50607005
PNG
(CHEMBL5219927)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ncc(C(=O)NCC(O)=O)c(O)n1
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PC cid
PC sid
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n/an/an/an/a 9.27E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129007
BindingDB Entry DOI: 10.7270/Q2CJ8JKT
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50607006
PNG
(CHEMBL5218506)
Show SMILES OC(=O)CNC(=O)c1cnc(NS(=O)(=O)c2ccc(Cl)cc2)nc1O
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PC cid
PC sid
UniChem
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n/an/an/an/a 5.54E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129007
BindingDB Entry DOI: 10.7270/Q2CJ8JKT
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50607007
PNG
(CHEMBL5219872)
Show SMILES OC(=O)CNC(=O)c1cnc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)nc1O
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PC cid
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UniChem
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n/an/an/an/a 4.91E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129007
BindingDB Entry DOI: 10.7270/Q2CJ8JKT
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50607013
PNG
(CHEMBL5219134)
Show SMILES OC(=O)CNC(=O)c1cnc(NS(=O)(=O)Cc2ccccc2)nc1O
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PC cid
PC sid
UniChem
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PubMed
n/an/an/an/a 10n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129007
BindingDB Entry DOI: 10.7270/Q2CJ8JKT
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50607009
PNG
(CHEMBL5218673)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ncc(C(=O)NCC(O)=O)c(O)n1
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PC cid
PC sid
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n/an/an/an/a 190n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129007
BindingDB Entry DOI: 10.7270/Q2CJ8JKT
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50607010
PNG
(CHEMBL5218720)
Show SMILES OC(=O)CNC(=O)c1cnc(NS(=O)(=O)c2cccc(Cl)c2)nc1O
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PC cid
PC sid
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PubMed
n/an/an/an/a 1.25E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129007
BindingDB Entry DOI: 10.7270/Q2CJ8JKT
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50607011
PNG
(CHEMBL5219277)
Show SMILES OC(=O)CNC(=O)c1cnc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)nc1O
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 100n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129007
BindingDB Entry DOI: 10.7270/Q2CJ8JKT
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50607012
PNG
(CHEMBL5220549)
Show SMILES OC(=O)CNC(=O)c1cnc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1O
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.46E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129007
BindingDB Entry DOI: 10.7270/Q2CJ8JKT
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50607008
PNG
(CHEMBL5218607)
Show SMILES OC(=O)CNC(=O)c1cnc(NS(=O)(=O)c2ccc(Br)cc2)nc1O
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.97E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129007
BindingDB Entry DOI: 10.7270/Q2CJ8JKT
More data for this
Ligand-Target Pair