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SMILES: Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cccc(F)c1C

InChI Key: InChIKey=SQKSSVOAOXDYMP-HKBQPEDESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 294662   
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)		BDBM294662
PNG
(US10112899, Example 141)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cccc(F)c1C |r,wD:23.27,(2.08,-.84,;.75,-.07,;-.59,-.84,;-.91,-2.34,;-2.44,-2.5,;-3.06,-1.1,;-1.92,-.07,;-1.92,1.47,;-3.25,2.24,;-.59,2.24,;-.59,3.78,;.75,4.55,;.75,6.09,;2.08,6.86,;-.59,6.86,;-.59,8.4,;-1.92,9.17,;-3.25,8.4,;-3.25,6.86,;-1.92,6.09,;-1.92,4.55,;-3.25,3.78,;.75,1.47,;2.08,2.24,;2.08,3.78,;3.41,4.55,;3.41,6.09,;4.75,3.78,;4.75,5.32,;3.41,1.47,;4.75,2.24,;3.41,-.07,;-3.21,-3.84,;-4.75,-3.84,;-2.44,-5.17,;-.9,-5.17,;-.13,-6.51,;-.9,-7.84,;-2.44,-7.84,;-3.21,-9.17,;-3.21,-6.51,;-4.75,-6.51,)|
Show InChI InChI=1S/C34H37F2NO5/c1-17-21-11-9-13-41-30(21)27(36)14-23(17)28-19(3)24-15-37(32(38)22-10-8-12-26(35)18(22)2)16-25(24)20(4)29(28)31(33(39)40)42-34(5,6)7/h8,10,12,14,31H,9,11,13,15-16H2,1-7H3,(H,39,40)/t31-/m0/s1
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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