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BDBM294709 US10112899, Example 187

SMILES: COc1ccc(cc1F)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C

InChI Key: InChIKey=YAMUEPYDRGXRHL-HKBQPEDESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 294709   
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)		BDBM294709
PNG
(US10112899, Example 187)
Show SMILES COc1ccc(cc1F)C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C |r,wD:32.36,(-7.44,-4.51,;-6.67,-5.84,;-5.13,-5.84,;-4.36,-7.17,;-2.82,-7.17,;-2.05,-5.84,;-2.82,-4.51,;-4.36,-4.51,;-5.13,-3.17,;-.51,-5.84,;.26,-7.17,;.26,-4.51,;1.79,-4.34,;2.11,-2.84,;.77,-2.07,;-.37,-3.1,;.77,-.53,;-.56,.24,;2.11,.24,;2.11,1.78,;3.44,2.55,;3.44,4.09,;4.78,4.86,;2.11,4.86,;2.11,6.4,;.77,7.17,;-.56,6.4,;-.56,4.86,;.77,4.09,;.77,2.55,;-.56,1.78,;3.44,-.53,;4.78,.24,;4.78,1.78,;6.11,2.55,;6.11,4.09,;7.44,1.78,;7.44,3.32,;6.11,-.53,;7.44,.24,;6.11,-2.07,;3.44,-2.07,;4.78,-2.84,)|
Show InChI InChI=1S/C34H37F2NO6/c1-17-21-9-8-12-42-30(21)26(36)14-22(17)28-18(2)23-15-37(32(38)20-10-11-27(41-7)25(35)13-20)16-24(23)19(3)29(28)31(33(39)40)43-34(4,5)6/h10-11,13-14,31H,8-9,12,15-16H2,1-7H3,(H,39,40)/t31-/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