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BDBM293284 US10106504, Example 21

SMILES: Cc1nc(C)c(-c2ccc3CNCCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O

InChI Key: InChIKey=RINMXMLXSGZUAE-LJAQVGFWSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 293284   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 Protease Chain A


(Human immunodeficiency virus type 1)
BDBM293284
PNG
(US10106504, Example 21)
Show SMILES Cc1nc(C)c(-c2ccc3CNCCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C31H36N2O4/c1-18-26(22-8-9-24-17-32-13-12-20(24)15-22)28(23-10-11-25-21(16-23)7-6-14-36-25)27(19(2)33-18)29(30(34)35)37-31(3,4)5/h8-11,15-16,29,32H,6-7,12-14,17H2,1-5H3,(H,34,35)/t29-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.77E+3n/an/a7.55n/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...


US Patent US10106504 (2018)


BindingDB Entry DOI: 10.7270/Q2BC41K2
More data for this
Ligand-Target Pair
HIV-1 Protease Chain A


(Human immunodeficiency virus type 1)
BDBM293284
PNG
(US10106504, Example 21)
Show SMILES Cc1nc(C)c(-c2ccc3CNCCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C31H36N2O4/c1-18-26(22-8-9-24-17-32-13-12-20(24)15-22)28(23-10-11-25-21(16-23)7-6-14-36-25)27(19(2)33-18)29(30(34)35)37-31(3,4)5/h8-11,15-16,29,32H,6-7,12-14,17H2,1-5H3,(H,34,35)/t29-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/a7.55n/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...


US Patent US10106504 (2018)


BindingDB Entry DOI: 10.7270/Q2BC41K2
More data for this
Ligand-Target Pair