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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 294695   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrase


(Human immunodeficiency virus 1)		BDBM294695
PNG
(US10112899, Example 173)
Show SMILES Cc1c2CN(Cc2c(C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)c1cc(F)c(F)c(F)c1 |r,wD:23.27,(4.39,-2.17,;3.06,-1.4,;1.72,-2.17,;1.4,-3.68,;-.13,-3.84,;-.75,-2.43,;.39,-1.4,;.39,.14,;-.94,.91,;1.72,.91,;1.72,2.45,;3.06,3.22,;3.06,4.76,;4.39,5.53,;1.72,5.53,;1.72,7.07,;.39,7.84,;-.94,7.07,;-.94,5.53,;.39,4.76,;.39,3.22,;-.94,2.45,;3.06,.14,;4.39,.91,;4.39,2.45,;5.72,3.22,;5.72,4.76,;7.06,2.45,;7.06,3.99,;5.72,.14,;7.06,.91,;5.72,-1.4,;-.9,-5.17,;-.13,-6.51,;-2.44,-5.17,;-3.21,-3.84,;-4.75,-3.84,;-5.52,-2.5,;-5.52,-5.17,;-7.06,-5.17,;-4.75,-6.51,;-5.52,-7.84,;-3.21,-6.51,)|
Show InChI InChI=1S/C33H33F4NO5/c1-15-19-8-7-9-42-29(19)25(36)12-20(15)26-16(2)21-13-38(31(39)18-10-23(34)28(37)24(35)11-18)14-22(21)17(3)27(26)30(32(40)41)43-33(4,5)6/h10-12,30H,7-9,13-14H2,1-6H3,(H,40,41)/t30-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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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