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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Structural polyprotein' and Ligand = 'BDBM476315'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Structural polyprotein


(CHIKV)
BDBM476315
PNG
(US10874683, Example EIDD-02357-01 | US10874683, Ex...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)ONc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)n1
Show InChI InChI=1S/C28H50N4O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-29-28(37)39-31-23-18-20-32(27(36)30-23)26-25(35)24(34)22(21-33)38-26/h18,20,22,24-26,33-35H,2-17,19,21H2,1H3,(H,29,37)(H,30,31,36)/t22-,24+,25?,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 70n/an/an/an/a



Emory University

US Patent


Assay Description
Primary cytopathic effect (CPE) reduction assay. Four-concentration CPE inhibition assays are performed. Confluent or near-confluent cell culture mon...


US Patent US10874683 (2020)

More data for this
Ligand-Target Pair
Structural polyprotein


(CHIKV)
BDBM476315
PNG
(US10874683, Example EIDD-02357-01 | US10874683, Ex...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)ONc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)n1
Show InChI InChI=1S/C28H50N4O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-29-28(37)39-31-23-18-20-32(27(36)30-23)26-25(35)24(34)22(21-33)38-26/h18,20,22,24-26,33-35H,2-17,19,21H2,1H3,(H,29,37)(H,30,31,36)/t22-,24+,25?,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>7.80E+4n/an/an/an/a



Emory University

US Patent


Assay Description
Primary cytopathic effect (CPE) reduction assay. Four-concentration CPE inhibition assays are performed. Confluent or near-confluent cell culture mon...


US Patent US10874683 (2020)

More data for this
Ligand-Target Pair