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Compile Data Set for Download or QSAR

Found 3 hits of affinity data for UniProtKB/TrEMBL: Q8JUX5   
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)
BDBM476299
PNG
(US10874683, Example 00106 | US10874683, Example 56...)
Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1O)n1ccc(NO)nc1=O
Show InChI InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6+,7?,8-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 600n/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)
BDBM476323
PNG
(US10874683, Example EIDD-02476-01)
Show SMILES CCCCCCCCC(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)n1ccc(NO)nc1=O
Show InChI InChI=1S/C18H29N3O7/c1-2-3-4-5-6-7-8-14(22)27-11-12-15(23)16(24)17(28-12)21-10-9-13(20-26)19-18(21)25/h9-10,12,15-17,23-24,26H,2-8,11H2,1H3,(H,19,20,25)/t12-,15+,16?,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 300n/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 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