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BDBM294658 US10112899, Example 137

SMILES: Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)C1CCCCC1

InChI Key: InChIKey=SBKXEAVZPNNIRN-PMERELPUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 294658   
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)		BDBM294658
PNG
(US10112899, Example 137)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)C1CCCCC1 |r,wD:23.27,(3.62,-2.84,;2.29,-2.07,;.95,-2.84,;.63,-4.34,;-.9,-4.51,;-1.52,-3.1,;-.38,-2.07,;-.38,-.53,;-1.71,.24,;.95,.24,;.95,1.78,;2.29,2.55,;2.29,4.09,;3.62,4.86,;.95,4.86,;.95,6.4,;-.38,7.17,;-1.71,6.4,;-1.71,4.86,;-.38,4.09,;-.38,2.55,;-1.71,1.78,;2.29,-.53,;3.62,.24,;3.62,1.78,;4.95,2.55,;4.95,4.09,;6.29,1.78,;6.29,3.32,;4.95,-.53,;6.29,.24,;4.95,-2.07,;-1.67,-5.84,;-.9,-7.17,;-3.21,-5.84,;-3.98,-4.51,;-5.52,-4.51,;-6.29,-5.84,;-5.52,-7.17,;-3.98,-7.17,)|
Show InChI InChI=1S/C33H42FNO5/c1-18-22-13-10-14-39-29(22)26(34)15-23(18)27-19(2)24-16-35(31(36)21-11-8-7-9-12-21)17-25(24)20(3)28(27)30(32(37)38)40-33(4,5)6/h15,21,30H,7-14,16-17H2,1-6H3,(H,37,38)/t30-/m0/s1
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PC cid
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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