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BDBM294680 US10112899, Example 159

SMILES: COc1cccc(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=UCJRWFFCTIFGJY-HKBQPEDESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 294680   
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)		BDBM294680
PNG
(US10112899, Example 159)
Show SMILES COc1cccc(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,(-7.06,-3.17,;-5.52,-3.17,;-4.75,-4.51,;-5.52,-5.84,;-4.75,-7.17,;-3.21,-7.17,;-2.44,-5.84,;-3.21,-4.51,;-.9,-5.84,;-.13,-7.17,;-.13,-4.51,;1.4,-4.34,;1.72,-2.84,;.39,-2.07,;-.75,-3.1,;.39,-.53,;-.94,.24,;1.72,.24,;1.72,1.78,;3.06,2.55,;3.06,4.09,;4.39,4.86,;1.72,4.86,;1.72,6.4,;.39,7.17,;-.94,6.4,;-.94,4.86,;.39,4.09,;.39,2.55,;-.94,1.78,;3.06,-.53,;4.39,.24,;4.39,1.78,;5.72,2.55,;5.72,4.09,;7.06,1.78,;7.06,3.32,;5.72,-.53,;7.06,.24,;5.72,-2.07,;3.06,-2.07,;4.39,-2.84,)|
Show InChI InChI=1S/C34H38FNO6/c1-18-23-12-9-13-41-30(23)27(35)15-24(18)28-19(2)25-16-36(32(37)21-10-8-11-22(14-21)40-7)17-26(25)20(3)29(28)31(33(38)39)42-34(4,5)6/h8,10-11,14-15,31H,9,12-13,16-17H2,1-7H3,(H,38,39)/t31-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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