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BDBM294678 US10112899, Example 157

SMILES: Cc1ccc(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=MVXWOAPSGJQEOE-YTTGMZPUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 294678   
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)		BDBM294678
PNG
(US10112899, Example 157)
Show SMILES Cc1ccc(C)c(c1)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C |r,wD:31.35,(-6.29,-2.5,;-5.52,-3.84,;-6.29,-5.17,;-5.52,-6.51,;-3.98,-6.51,;-3.21,-7.84,;-3.21,-5.17,;-3.98,-3.84,;-1.67,-5.17,;-.9,-6.51,;-.9,-3.84,;.63,-3.68,;.95,-2.17,;-.38,-1.4,;-1.52,-2.43,;-.38,.14,;-1.71,.91,;.95,.91,;.95,2.45,;2.29,3.22,;2.29,4.76,;3.62,5.53,;.95,5.53,;.95,7.07,;-.38,7.84,;-1.71,7.07,;-1.71,5.53,;-.38,4.76,;-.38,3.22,;-1.71,2.45,;2.29,.14,;3.62,.91,;3.62,2.45,;4.95,3.22,;4.95,4.76,;6.29,2.45,;6.29,3.99,;4.95,.14,;6.29,.91,;4.95,-1.4,;2.29,-1.4,;3.62,-2.17,)|
Show InChI InChI=1S/C35H40FNO5/c1-18-11-12-19(2)24(14-18)33(38)37-16-26-21(4)29(25-15-28(36)31-23(20(25)3)10-9-13-41-31)30(22(5)27(26)17-37)32(34(39)40)42-35(6,7)8/h11-12,14-15,32H,9-10,13,16-17H2,1-8H3,(H,39,40)/t32-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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