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BDBM294627 US10112899, Example 107

SMILES: Cc1ccc(cc1)-c1c(C)c2CN(Cc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)C1CCCCC1

InChI Key: InChIKey=RCMIDSPPTMEEQG-MHZLTWQESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 294627   
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)
BDBM294627
PNG
(US10112899, Example 107)
Show SMILES Cc1ccc(cc1)-c1c(C)c2CN(Cc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C30H39NO4/c1-18-12-14-21(15-13-18)25-19(2)23-16-31(28(32)22-10-8-7-9-11-22)17-24(23)20(3)26(25)27(29(33)34)35-30(4,5)6/h12-15,22,27H,7-11,16-17H2,1-6H3,(H,33,34)/t27-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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)


BindingDB Entry DOI: 10.7270/Q2KP8465
More data for this
Ligand-Target Pair