Found 2 hits Enz. Inhib. hit(s) with Target = 'Envelope glycoprotein gp160' and Ligand = 'BDBM272533' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Envelope glycoprotein gp160
(Human immunodeficiency virus type 1 (isolate BRU/L...) | BDBM272533
(US10065953, Example 15 | US10065953, Example 16)Show SMILES Cc1cc2nc(cn2c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccc(F)cc1 |r,wD:22.26,(5.32,1.7,;3.98,2.47,;2.65,1.7,;1.32,2.47,;-.15,1.99,;-1.05,3.24,;-.15,4.48,;1.32,4.01,;2.65,4.78,;2.65,6.32,;3.98,7.09,;3.98,8.63,;5.32,9.4,;2.65,9.4,;2.65,10.94,;1.32,11.71,;-.02,10.94,;-.02,9.4,;1.32,8.63,;1.32,7.09,;-.02,6.32,;3.98,4.01,;5.32,4.78,;5.32,6.32,;6.65,7.09,;7.98,7.86,;6.65,8.63,;7.98,6.32,;6.65,4.01,;7.98,4.78,;6.65,2.47,;-2.59,3.24,;-3.36,1.91,;-4.9,1.91,;-5.67,3.24,;-4.9,4.57,;-3.36,4.57,;-5.67,5.91,;-4.9,7.24,;-5.67,8.57,;-7.21,8.57,;-7.98,9.91,;-7.98,7.24,;-7.21,5.91,)| Show InChI InChI=1S/C36H34F2N2O4/c1-20-16-30-39-29(24-9-6-8-23(17-24)22-11-13-25(37)14-12-22)19-40(30)32(31(20)34(35(41)42)44-36(3,4)5)27-18-28(38)33-26(21(27)2)10-7-15-43-33/h6,8-9,11-14,16-19,34H,7,10,15H2,1-5H3,(H,41,42)/t34-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
ViiV HEALTHCARE UK (NO.5) LIMITED
US Patent
| Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ... |
US Patent US10065953 (2018)
BindingDB Entry DOI: 10.7270/Q2WD42KS |
More data for this
Ligand-Target Pair | |
Envelope glycoprotein gp160
(Human immunodeficiency virus type 1 (isolate BRU/L...) | BDBM272533
(US10065953, Example 15 | US10065953, Example 16)Show SMILES Cc1cc2nc(cn2c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccc(F)cc1 |r,wD:22.26,(5.32,1.7,;3.98,2.47,;2.65,1.7,;1.32,2.47,;-.15,1.99,;-1.05,3.24,;-.15,4.48,;1.32,4.01,;2.65,4.78,;2.65,6.32,;3.98,7.09,;3.98,8.63,;5.32,9.4,;2.65,9.4,;2.65,10.94,;1.32,11.71,;-.02,10.94,;-.02,9.4,;1.32,8.63,;1.32,7.09,;-.02,6.32,;3.98,4.01,;5.32,4.78,;5.32,6.32,;6.65,7.09,;7.98,7.86,;6.65,8.63,;7.98,6.32,;6.65,4.01,;7.98,4.78,;6.65,2.47,;-2.59,3.24,;-3.36,1.91,;-4.9,1.91,;-5.67,3.24,;-4.9,4.57,;-3.36,4.57,;-5.67,5.91,;-4.9,7.24,;-5.67,8.57,;-7.21,8.57,;-7.98,9.91,;-7.98,7.24,;-7.21,5.91,)| Show InChI InChI=1S/C36H34F2N2O4/c1-20-16-30-39-29(24-9-6-8-23(17-24)22-11-13-25(37)14-12-22)19-40(30)32(31(20)34(35(41)42)44-36(3,4)5)27-18-28(38)33-26(21(27)2)10-7-15-43-33/h6,8-9,11-14,16-19,34H,7,10,15H2,1-5H3,(H,41,42)/t34-/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 175 | n/a | n/a | n/a | n/a |
ViiV HEALTHCARE UK (NO.5) LIMITED
US Patent
| Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ... |
US Patent US10065953 (2018)
BindingDB Entry DOI: 10.7270/Q2WD42KS |
More data for this
Ligand-Target Pair | |
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