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SMILES: Cc1ccc(cc1)-c1c(C)c2CN(Cc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cc(C)cc(F)c1

InChI Key: InChIKey=NZAONFQWDBLGPS-NDEPHWFRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 294644   
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
Integrase


(Human immunodeficiency virus 1)		BDBM294644
PNG
(US10112899, Example 123)
Show SMILES Cc1ccc(cc1)-c1c(C)c2CN(Cc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cc(C)cc(F)c1 |r|
Show InChI InChI=1S/C31H34FNO4/c1-17-8-10-21(11-9-17)26-19(3)24-15-33(29(34)22-12-18(2)13-23(32)14-22)16-25(24)20(4)27(26)28(30(35)36)37-31(5,6)7/h8-14,28H,15-16H2,1-7H3,(H,35,36)/t28-/m0/s1
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PC cid
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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)


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