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BDBM294681 US10112899, Example 160

SMILES: COc1ccc(C)c(c1)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C

InChI Key: InChIKey=KPNRWDWSLQFHMD-YTTGMZPUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 294681   
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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM294681
PNG
(US10112899, Example 160)
Show SMILES COc1ccc(C)c(c1)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C35H40FNO6/c1-18-11-12-22(41-8)14-24(18)33(38)37-16-26-20(3)29(25-15-28(36)31-23(19(25)2)10-9-13-42-31)30(21(4)27(26)17-37)32(34(39)40)43-35(5,6)7/h11-12,14-15,32H,9-10,13,16-17H2,1-8H3,(H,39,40)/t32-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)

More data for this
Ligand-Target Pair