Compile Data Set for Download or QSAR
Found 5 of ec50 for UniProtKB: Q7ZJM1
TargetIntegrase(Human immunodeficiency virus 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50123468(CHEMBL32865 | [3-Benzyl-5-(1,1-dioxo-1lambda 6 -is...)
Show SMILES Oc1c(ncc2cccnc12)C(=O)c1cc(CN2CCCS2(=O)=O)cc(Cc2ccccc2)c1
Show InChI InChI=1S/C26H23N3O4S/c30-25(24-26(31)23-21(16-28-24)8-4-9-27-23)22-14-19(12-18-6-2-1-3-7-18)13-20(15-22)17-29-10-5-11-34(29,32)33/h1-4,6-9,13-16,31H,5,10-12,17H2
Affinity DataEC50:  140nMAssay Description:Potency of compound was tested against HIV-1- containing integrase mutations (NL4-3)More data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50123468(CHEMBL32865 | [3-Benzyl-5-(1,1-dioxo-1lambda 6 -is...)
Show SMILES Oc1c(ncc2cccnc12)C(=O)c1cc(CN2CCCS2(=O)=O)cc(Cc2ccccc2)c1
Show InChI InChI=1S/C26H23N3O4S/c30-25(24-26(31)23-21(16-28-24)8-4-9-27-23)22-14-19(12-18-6-2-1-3-7-18)13-20(15-22)17-29-10-5-11-34(29,32)33/h1-4,6-9,13-16,31H,5,10-12,17H2
Affinity DataEC50: >800nMAssay Description:Potency of compound was tested against HIV-1- containing integrase mutations (T66I, S153Y)More data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50538908(CHEMBL4642318)
Show SMILES Cn1cc(Cc2ccc(F)cc2)nc1-c1nc2n(CCOC2(C)C)c(=O)c1O
Show InChI InChI=1S/C20H21FN4O3/c1-20(2)19-23-15(16(26)18(27)25(19)8-9-28-20)17-22-14(11-24(17)3)10-12-4-6-13(21)7-5-12/h4-7,11,26H,8-10H2,1-3H3
Affinity DataEC50:  9.30E+3nMAssay Description:Inhibition of HIV-1 integrase strand transfer activityMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetIntegrase(Human immunodeficiency virus 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50538906(CHEMBL4649761)
Show SMILES Cc1nc(nn1Cc1ccc(F)cc1)-c1nc2n(CCOC2(C)C)c(=O)c1O
Show InChI InChI=1S/C19H20FN5O3/c1-11-21-16(23-25(11)10-12-4-6-13(20)7-5-12)14-15(26)17(27)24-8-9-28-19(2,3)18(24)22-14/h4-7,26H,8-10H2,1-3H3
Affinity DataEC50: >3.00E+4nMAssay Description:Inhibition of HIV-1 integrase strand transfer activityMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetIntegrase(Human immunodeficiency virus 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50538907(CHEMBL4637079)
Show SMILES CC1(C)OCCn2c1nc(-c1nc(Cl)c(Cc3ccc(F)cc3)[nH]1)c(O)c2=O
Show InChI InChI=1S/C19H18ClFN4O3/c1-19(2)18-23-13(14(26)17(27)25(18)7-8-28-19)16-22-12(15(20)24-16)9-10-3-5-11(21)6-4-10/h3-6,26H,7-9H2,1-2H3,(H,22,24)
Affinity DataEC50: >6.40E+4nMAssay Description:Inhibition of HIV-1 integrase strand transfer activityMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed