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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'tecce' and Initial = 'mf'   
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
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM109086
PNG
(US10793535, Cmpd ID 727 | US8604016, 670 | US99382...)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1
Show InChI InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
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antibodypedia
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MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 310n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114233
BindingDB Entry DOI: 10.7270/Q2RJ4PG1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Spike glycoprotein


(2019-nCoV)
BDBM50582093
PNG
(CHEMBL5085757)
Show SMILES CC(C)(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NCc1ccc(cc1)-c1ccccc1 |r|
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PC sid
UniChem
Article
PubMed
n/an/an/a 1.91E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113863
BindingDB Entry DOI: 10.7270/Q2SJ1QH2
More data for this
Ligand-Target Pair
Spike glycoprotein


(2019-nCoV)
BDBM50582094
PNG
(CHEMBL5087131)
Show SMILES CC(C)C[C@H](NCc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)(C)C |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>2.50E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113863
BindingDB Entry DOI: 10.7270/Q2SJ1QH2
More data for this
Ligand-Target Pair
Spike glycoprotein


(2019-nCoV)
BDBM50582095
PNG
(CHEMBL5093511)
Show SMILES CC(C)(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC#C)NCc1ccc(cc1)-c1ccccc1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>2.50E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113863
BindingDB Entry DOI: 10.7270/Q2SJ1QH2
More data for this
Ligand-Target Pair
Spike glycoprotein


(2019-nCoV)
BDBM50582096
PNG
(CHEMBL5092252)
Show SMILES C=CC[C@H](NCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)-c1ccccc1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>2.50E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113863
BindingDB Entry DOI: 10.7270/Q2SJ1QH2
More data for this
Ligand-Target Pair
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50593582
PNG
(CHEMBL5179292)
Show SMILES Br.Fc1ccc2n(CCCCN3CCOCC3)cc(-c3nc(cs3)-c3c[nH]c4ncccc34)c2c1
PDB

UniProtKB/SwissProt

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UniChem
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PubMed
n/an/an/an/a 1.29E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114233
BindingDB Entry DOI: 10.7270/Q2RJ4PG1
More data for this
Ligand-Target Pair
Spike glycoprotein


(2019-nCoV)
BDBM50582098
PNG
(CHEMBL5080077)
Show SMILES COC(=O)c1ccc2n(CC(C)C)cc(CN(CCc3ccc(cc3)-c3ccccc3)Cc3ccccc3)c2c1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.26E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113863
BindingDB Entry DOI: 10.7270/Q2SJ1QH2
More data for this
Ligand-Target Pair
Spike glycoprotein


(2019-nCoV)
BDBM50582099
PNG
(CHEMBL5077268)
Show SMILES COC(=O)c1ccc2n(C)cc(CN(Cc3ccccc3)C(=O)[C@H](CC#C)NC(=O)OC(C)(C)C)c2c1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.14E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113863
BindingDB Entry DOI: 10.7270/Q2SJ1QH2
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50593582
PNG
(CHEMBL5179292)
Show SMILES Br.Fc1ccc2n(CCCCN3CCOCC3)cc(-c3nc(cs3)-c3c[nH]c4ncccc34)c2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.96E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114233
BindingDB Entry DOI: 10.7270/Q2RJ4PG1
More data for this
Ligand-Target Pair
Spike glycoprotein


(2019-nCoV)
BDBM50582092
PNG
(CHEMBL5091761)
Show SMILES CC(C)(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>2.50E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113863
BindingDB Entry DOI: 10.7270/Q2SJ1QH2
More data for this
Ligand-Target Pair
Spike glycoprotein


(2019-nCoV)
BDBM50582097
PNG
(CHEMBL5070941)
Show SMILES ClCC(=O)N[C@@H](CC=C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>2.50E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113863
BindingDB Entry DOI: 10.7270/Q2SJ1QH2
More data for this
Ligand-Target Pair