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PubMed code 11212098

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096675
PNG
(3-(1-Benzyloxy-3-cyclopropyl-1-trifluoromethyl-pro...)
Show SMILES FC(F)(F)C(OCc1ccccc1)(C#CC1CC1)c1ccc[nH]c1=O
Show InChI InChI=1S/C19H16F3NO2/c20-19(21,22)18(11-10-14-8-9-14,16-7-4-12-23-17(16)24)25-13-15-5-2-1-3-6-15/h1-7,12,14H,8-9,13H2,(H,23,24)
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n/an/a 12n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096666
PNG
(3-(1-Benzyloxy-3-phenyl-1-trifluoromethyl-prop-2-y...)
Show SMILES FC(F)(F)C(OCc1ccccc1)(C#Cc1ccccc1)c1ccc[nH]c1=O
Show InChI InChI=1S/C22H16F3NO2/c23-22(24,25)21(19-12-7-15-26-20(19)27,14-13-17-8-3-1-4-9-17)28-16-18-10-5-2-6-11-18/h1-12,15H,16H2,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096660
PNG
(3-((E)-1-Benzyloxy-3-cyclopropyl-1-trifluoromethyl...)
Show SMILES FC(F)(F)C(OCc1ccccc1)(\C=C\C1CC1)c1ccc[nH]c1=O
Show InChI InChI=1S/C19H18F3NO2/c20-19(21,22)18(11-10-14-8-9-14,16-7-4-12-23-17(16)24)25-13-15-5-2-1-3-6-15/h1-7,10-12,14H,8-9,13H2,(H,23,24)/b11-10+
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n/an/a 17n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM1317
PNG
(3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...)
Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
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n/an/a 19n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096668
PNG
(3-[3-Cyclopropyl-1-(3-phenoxy-phenoxy)-1-trifluoro...)
Show SMILES FC(F)(F)C(Oc1cccc(Oc2ccccc2)c1)(C#CC1CC1)c1ccc[nH]c1=O
Show InChI InChI=1S/C24H18F3NO3/c25-24(26,27)23(14-13-17-11-12-17,21-10-5-15-28-22(21)29)31-20-9-4-8-19(16-20)30-18-6-2-1-3-7-18/h1-10,15-17H,11-12H2,(H,28,29)
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n/an/a 24n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096654
PNG
(3-[3-Cyclopropyl-1-(pyridin-2-ylmethoxy)-1-trifluo...)
Show SMILES FC(F)(F)C(OCc1ccccn1)(C#CC1CC1)c1ccc[nH]c1=O
Show InChI InChI=1S/C18H15F3N2O2/c19-18(20,21)17(9-8-13-6-7-13,15-5-3-11-23-16(15)24)25-12-14-4-1-2-10-22-14/h1-5,10-11,13H,6-7,12H2,(H,23,24)
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n/an/a 26n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096664
PNG
(3-[3-Cyclopropyl-1-(pyridin-3-ylmethoxy)-1-trifluo...)
Show SMILES FC(F)(F)C(OCc1cccnc1)(C#CC1CC1)c1ccc[nH]c1=O
Show InChI InChI=1S/C18H15F3N2O2/c19-18(20,21)17(8-7-13-5-6-13,15-4-2-10-23-16(15)24)25-12-14-3-1-9-22-11-14/h1-4,9-11,13H,5-6,12H2,(H,23,24)
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n/an/a 26n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM2898
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(NC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H10ClF3N2O/c15-9-3-4-11-10(7-9)13(14(16,17)18,20-12(21)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H2,19,20,21)/t13-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the NNRTI HIV-1 enzyme by 50% using enzyme assay


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096667
PNG
(3-(1-Benzyloxy-3-cyclopropyl-1-trifluoromethyl-pro...)
Show SMILES FC(F)(F)C(OCc1ccccc1)(C#CC1CC1)c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H18F3NO2/c24-23(25,26)22(13-12-16-10-11-16,29-15-17-6-2-1-3-7-17)19-14-18-8-4-5-9-20(18)27-21(19)28/h1-9,14,16H,10-11,15H2,(H,27,28)
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n/an/a 36n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096657
PNG
(3-[3-Cyclopropyl-1-(2,6-dichloro-benzyloxy)-1-trif...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OCc1c(Cl)cccc1Cl)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C22H20Cl2F3NO2/c1-3-15-11-17(20(29)28-13(15)2)21(22(25,26)27,10-9-14-7-8-14)30-12-16-18(23)5-4-6-19(16)24/h4-6,11,14H,3,7-8,12H2,1-2H3,(H,28,29)
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n/an/a 41n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096673
PNG
(3-((E)-1-Benzyloxy-3-phenyl-1-trifluoromethyl-ally...)
Show SMILES FC(F)(F)C(OCc1ccccc1)(\C=C\c1ccccc1)c1ccc[nH]c1=O
Show InChI InChI=1S/C22H18F3NO2/c23-22(24,25)21(19-12-7-15-26-20(19)27,14-13-17-8-3-1-4-9-17)28-16-18-10-5-2-6-11-18/h1-15H,16H2,(H,26,27)/b14-13+
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n/an/a 44n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096661
PNG
(3-(3-Cyclopropyl-1-propoxy-1-trifluoromethyl-prop-...)
Show SMILES CCCOC(C#CC1CC1)(c1cc(CC)c(C)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C18H22F3NO2/c1-4-10-24-17(18(19,20)21,9-8-13-6-7-13)15-11-14(5-2)12(3)22-16(15)23/h11,13H,4-7,10H2,1-3H3,(H,22,23)
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n/an/a 105n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096656
PNG
(3-(1-Butoxy-3-cyclopropyl-1-trifluoromethyl-prop-2...)
Show SMILES CCCCOC(C#CC1CC1)(c1cc(CC)c(C)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO2/c1-4-6-11-25-18(19(20,21)22,10-9-14-7-8-14)16-12-15(5-2)13(3)23-17(16)24/h12,14H,4-8,11H2,1-3H3,(H,23,24)
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n/an/a 129n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096663
PNG
(3-(3-Cyclopropyl-1-ethoxy-1-trifluoromethyl-prop-2...)
Show SMILES CCOC(C#CC1CC1)(c1cc(CC)c(C)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C17H20F3NO2/c1-4-13-10-14(15(22)21-11(13)3)16(23-5-2,17(18,19)20)9-8-12-6-7-12/h10,12H,4-7H2,1-3H3,(H,21,22)
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n/an/a 183n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096672
PNG
(3-(3-Cyclopropyl-1-cyclopropylmethoxy-1-trifluorom...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OCC1CC1)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C19H22F3NO2/c1-3-15-10-16(17(24)23-12(15)2)18(19(20,21)22,9-8-13-4-5-13)25-11-14-6-7-14/h10,13-14H,3-7,11H2,1-2H3,(H,23,24)
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n/an/a 188n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096670
PNG
(3-[3-Cyclopropyl-1-(2,6-difluoro-benzyloxy)-1-trif...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OCc1c(F)cccc1F)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C22H20F5NO2/c1-3-15-11-17(20(29)28-13(15)2)21(22(25,26)27,10-9-14-7-8-14)30-12-16-18(23)5-4-6-19(16)24/h4-6,11,14H,3,7-8,12H2,1-2H3,(H,28,29)
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n/an/a 613n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096674
PNG
(3-(3-Cyclopropyl-1-methoxy-1-trifluoromethyl-prop-...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OC)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C16H18F3NO2/c1-4-12-9-13(14(21)20-10(12)2)15(22-3,16(17,18)19)8-7-11-5-6-11/h9,11H,4-6H2,1-3H3,(H,20,21)
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n/an/a 770n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096662
PNG
(3-(1-Benzyloxy-3-cyclopropyl-1-trifluoromethyl-pro...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OCc1ccccc1)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO2/c1-3-18-13-19(20(27)26-15(18)2)21(22(23,24)25,12-11-16-9-10-16)28-14-17-7-5-4-6-8-17/h4-8,13,16H,3,9-10,14H2,1-2H3,(H,26,27)
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n/an/a 1.35E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096655
PNG
(CHEMBL106659 | [3-Cyclopropyl-1-(5-ethyl-6-methyl-...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OCC#N)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O2/c1-3-13-10-14(15(23)22-11(13)2)16(17(18,19)20,24-9-8-21)7-6-12-4-5-12/h10,12H,3-5,9H2,1-2H3,(H,22,23)
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n/an/a 1.84E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096669
PNG
(3-[3-Cyclopropyl-1-(2-fluoro-6-methoxy-benzyloxy)-...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OCc1c(F)cccc1OC)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C23H23F4NO3/c1-4-16-12-18(21(29)28-14(16)2)22(23(25,26)27,11-10-15-8-9-15)31-13-17-19(24)6-5-7-20(17)30-3/h5-7,12,15H,4,8-9,13H2,1-3H3,(H,28,29)
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PubMed
n/an/a 1.95E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096658
PNG
(3-[3-Cyclopropyl-1-(2,4-dichloro-benzyloxy)-1-trif...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OCc1ccc(Cl)cc1Cl)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C22H20Cl2F3NO2/c1-3-15-10-18(20(29)28-13(15)2)21(22(25,26)27,9-8-14-4-5-14)30-12-16-6-7-17(23)11-19(16)24/h6-7,10-11,14H,3-5,12H2,1-2H3,(H,28,29)
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PC cid
PC sid
UniChem

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PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096659
PNG
(3-[3-Cyclopropyl-1-(3,5-dimethoxy-benzyloxy)-1-tri...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OCc1cc(OC)cc(OC)c1)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C24H26F3NO4/c1-5-18-12-21(22(29)28-15(18)2)23(24(25,26)27,9-8-16-6-7-16)32-14-17-10-19(30-3)13-20(11-17)31-4/h10-13,16H,5-7,14H2,1-4H3,(H,28,29)
PDB
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UniProtKB/TrEMBL

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PC sid
UniChem

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PubMed
n/an/a 3.84E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096665
PNG
(3-[1-(2-Chloro-6-fluoro-benzyloxy)-3-cyclopropyl-1...)
Show SMILES CCc1cc(c(=O)[nH]c1C)C(OCc1c(F)cccc1Cl)(C#CC1CC1)C(F)(F)F
Show InChI InChI=1S/C22H20ClF4NO2/c1-3-15-11-17(20(29)28-13(15)2)21(22(25,26)27,10-9-14-7-8-14)30-12-16-18(23)5-4-6-19(16)24/h4-6,11,14H,3,7-8,12H2,1-2H3,(H,28,29)
PDB
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UniProtKB/TrEMBL

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UniChem

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PubMed
n/an/a 6.09E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50096671
PNG
(3-[3-Cyclopropyl-1-(pyridin-4-ylmethoxy)-1-trifluo...)
Show SMILES FC(F)(F)C(OCc1ccncc1)(C#CC1CC1)c1ccc[nH]c1=O
Show InChI InChI=1S/C18H15F3N2O2/c19-18(20,21)17(8-5-13-3-4-13,15-2-1-9-23-16(15)24)25-12-14-6-10-22-11-7-14/h1-2,6-7,9-11,13H,3-4,12H2,(H,23,24)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
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UniChem

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PubMed
n/an/a 8.12E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.


Bioorg Med Chem Lett 11: 309-12 (2001)


BindingDB Entry DOI: 10.7270/Q23T9HSR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%