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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'chowdhury' and Initial = 'g'   
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
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50599323
PNG
(CHEBI:69120 | CHEMBL517080)
Show SMILES [H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@]5([H])CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |r,c:37,t:17|
PDB
MMDB

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UniProtKB/SwissProt
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B.MOAD
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jnatprod.2c00521
BindingDB Entry DOI: 10.7270/Q2V69PM6
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50599323
PNG
(CHEBI:69120 | CHEMBL517080)
Show SMILES [H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@]5([H])CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |r,c:37,t:17|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 630n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jnatprod.2c00521
BindingDB Entry DOI: 10.7270/Q2V69PM6
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50599324
PNG
(WITHANONE | Withanone)
Show SMILES [H][C@@]12O[C@]1([H])[C@@]1(O)CC=CC(=O)[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3(O)[C@H](C)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@]21[H] |r,c:9,t:35|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jnatprod.2c00521
BindingDB Entry DOI: 10.7270/Q2V69PM6
More data for this
Ligand-Target Pair