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PubMed code 25529736

Compile data set for download or QSAR
Found 30 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
Integrase


(Human immunodeficiency virus 1)		BDBM50042022
PNG
(CHEMBL3360128)
Show SMILES COCCN1CCN(C1=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C23H28FN5O6/c1-27-20(15-5-9-35-13-15)26-18(19(30)22(27)32)21(31)25-12-14-3-4-16(24)11-17(14)29-7-6-28(23(29)33)8-10-34-2/h3-4,11,15,30H,5-10,12-13H2,1-2H3,(H,25,31)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042005
PNG
(CHEMBL3360113)
Show SMILES CSC1COCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C18H20FN3O4S/c1-22-16(12-8-26-9-13(12)27-2)21-14(15(23)18(22)25)17(24)20-7-10-3-5-11(19)6-4-10/h3-6,12-13,23H,7-9H2,1-2H3,(H,20,24)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042014
PNG
(CHEMBL3360121)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O)C1CCOC1
Show InChI InChI=1S/C19H19FN6O4/c1-25-17(12-4-5-30-8-12)24-15(16(27)19(25)29)18(28)22-7-11-2-3-13(20)6-14(11)26-10-21-9-23-26/h2-3,6,9-10,12,27H,4-5,7-8H2,1H3,(H,22,28)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042007
PNG
(CHEMBL3360111)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCOC1
Show InChI InChI=1S/C17H18FN3O4/c1-21-15(11-6-7-25-9-11)20-13(14(22)17(21)24)16(23)19-8-10-2-4-12(18)5-3-10/h2-5,11,22H,6-9H2,1H3,(H,19,23)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042003
PNG
(CHEMBL3360115)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1(C)CCCS1
Show InChI InChI=1S/C18H20FN3O3S/c1-18(8-3-9-26-18)17-21-13(14(23)16(25)22(17)2)15(24)20-10-11-4-6-12(19)7-5-11/h4-7,23H,3,8-10H2,1-2H3,(H,20,24)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042032
PNG
(CHEMBL3360116)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCOCC1
Show InChI InChI=1S/C18H20FN3O4/c1-22-16(12-6-8-26-9-7-12)21-14(15(23)18(22)25)17(24)20-10-11-2-4-13(19)5-3-11/h2-5,12,23H,6-10H2,1H3,(H,20,24)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042004
PNG
(CHEMBL3360114)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1(C)CCCO1
Show InChI InChI=1S/C18H20FN3O4/c1-18(8-3-9-26-18)17-21-13(14(23)16(25)22(17)2)15(24)20-10-11-4-6-12(19)7-5-11/h4-7,23H,3,8-10H2,1-2H3,(H,20,24)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042026
PNG
(CHEMBL3360132)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O)C1CCOCC1
Show InChI InChI=1S/C20H21FN6O4/c1-26-18(12-4-6-31-7-5-12)25-16(17(28)20(26)30)19(29)23-9-13-2-3-14(21)8-15(13)27-11-22-10-24-27/h2-3,8,10-12,28H,4-7,9H2,1H3,(H,23,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042006
PNG
(CHEMBL3360112)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1COCC1O
Show InChI InChI=1S/C17H18FN3O5/c1-21-15(11-7-26-8-12(11)22)20-13(14(23)17(21)25)16(24)19-6-9-2-4-10(18)5-3-9/h2-5,11-12,22-23H,6-8H2,1H3,(H,19,24)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042031
PNG
(CHEMBL3360137)
Show SMILES CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOCC3)n(C)c(=O)c2O)S1(=O)=O
Show InChI InChI=1S/C23H30FN5O6S/c1-23(2)13-29(36(33,34)28(23)4)17-11-16(24)6-5-15(17)12-25-21(31)18-19(30)22(32)27(3)20(26-18)14-7-9-35-10-8-14/h5-6,11,14,30H,7-10,12-13H2,1-4H3,(H,25,31)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042017
PNG
(CHEMBL3360124)
Show SMILES Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C20H21FN6O4/c1-26-17(12-5-6-31-9-12)25-15(16(28)20(26)30)19(29)22-8-11-3-4-13(21)7-14(11)18-23-10-24-27(18)2/h3-4,7,10,12,28H,5-6,8-9H2,1-2H3,(H,22,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042021
PNG
(CHEMBL3360127)
Show SMILES CN1CCN(C1=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C21H24FN5O5/c1-25-6-7-27(21(25)31)15-9-14(22)4-3-12(15)10-23-19(29)16-17(28)20(30)26(2)18(24-16)13-5-8-32-11-13/h3-4,9,13,28H,5-8,10-11H2,1-2H3,(H,23,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042023
PNG
(CHEMBL3360129)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c1=O)C1CCOCC1
Show InChI InChI=1S/C19H22FN3O6S/c1-23-17(11-5-7-29-8-6-11)22-15(16(24)19(23)26)18(25)21-10-12-3-4-13(20)9-14(12)30(2,27)28/h3-4,9,11,24H,5-8,10H2,1-2H3,(H,21,25)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042027
PNG
(CHEMBL3360133)
Show SMILES Cc1ncnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O
Show InChI InChI=1S/C21H23FN6O4/c1-12-24-11-25-28(12)16-9-15(22)4-3-14(16)10-23-20(30)17-18(29)21(31)27(2)19(26-17)13-5-7-32-8-6-13/h3-4,9,11,13,29H,5-8,10H2,1-2H3,(H,23,30)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042029
PNG
(CHEMBL3360135)
Show SMILES Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O
Show InChI InChI=1S/C21H23FN6O4/c1-27-18(12-5-7-32-8-6-12)26-16(17(29)21(27)31)20(30)23-10-13-3-4-14(22)9-15(13)19-24-11-25-28(19)2/h3-4,9,11-12,29H,5-8,10H2,1-2H3,(H,23,30)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042011
PNG
(CHEMBL3360118)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c1=O)C1CCOC1
Show InChI InChI=1S/C18H20FN3O6S/c1-22-16(11-5-6-28-9-11)21-14(15(23)18(22)25)17(24)20-8-10-3-4-12(19)7-13(10)29(2,26)27/h3-4,7,11,23H,5-6,8-9H2,1-2H3,(H,20,24)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042013
PNG
(CHEMBL3360120)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCCCS2(=O)=O)c(O)c1=O)C1CCOC1
Show InChI InChI=1S/C21H25FN4O6S/c1-25-19(14-6-8-32-12-14)24-17(18(27)21(25)29)20(28)23-11-13-4-5-15(22)10-16(13)26-7-2-3-9-33(26,30)31/h4-5,10,14,27H,2-3,6-9,11-12H2,1H3,(H,23,28)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042012
PNG
(CHEMBL3360119)
Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C19H23FN4O6S/c1-23(2)31(28,29)14-8-13(20)5-4-11(14)9-21-18(26)15-16(25)19(27)24(3)17(22-15)12-6-7-30-10-12/h4-5,8,12,25H,6-7,9-10H2,1-3H3,(H,21,26)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042010
PNG
(CHEMBL3360117)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCCCO1
Show InChI InChI=1S/C18H20FN3O4/c1-22-16(13-4-2-3-9-26-13)21-14(15(23)18(22)25)17(24)20-10-11-5-7-12(19)8-6-11/h5-8,13,23H,2-4,9-10H2,1H3,(H,20,24)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042016
PNG
(CHEMBL3360123)
Show SMILES Cc1cnnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C20H21FN6O4/c1-11-8-23-25-27(11)15-7-14(21)4-3-12(15)9-22-19(29)16-17(28)20(30)26(2)18(24-16)13-5-6-31-10-13/h3-4,7-8,13,28H,5-6,9-10H2,1-2H3,(H,22,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042020
PNG
(CHEMBL3360126)
Show SMILES CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOC3)n(C)c(=O)c2O)S1(=O)=O
Show InChI InChI=1S/C22H28FN5O6S/c1-22(2)12-28(35(32,33)27(22)4)16-9-15(23)6-5-13(16)10-24-20(30)17-18(29)21(31)26(3)19(25-17)14-7-8-34-11-14/h5-6,9,14,29H,7-8,10-12H2,1-4H3,(H,24,30)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042025
PNG
(CHEMBL3360131)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCCCS2(=O)=O)c(O)c1=O)C1CCOCC1
Show InChI InChI=1S/C22H27FN4O6S/c1-26-20(14-6-9-33-10-7-14)25-18(19(28)22(26)30)21(29)24-13-15-4-5-16(23)12-17(15)27-8-2-3-11-34(27,31)32/h4-5,12,14,28H,2-3,6-11,13H2,1H3,(H,24,29)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042015
PNG
(CHEMBL3360122)
Show SMILES Cc1ncnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C20H21FN6O4/c1-11-23-10-24-27(11)15-7-14(21)4-3-12(15)8-22-19(29)16-17(28)20(30)26(2)18(25-16)13-5-6-31-9-13/h3-4,7,10,13,28H,5-6,8-9H2,1-2H3,(H,22,29)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042024
PNG
(CHEMBL3360130)
Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O
Show InChI InChI=1S/C20H25FN4O6S/c1-24(2)32(29,30)15-10-14(21)5-4-13(15)11-22-19(27)16-17(26)20(28)25(3)18(23-16)12-6-8-31-9-7-12/h4-5,10,12,26H,6-9,11H2,1-3H3,(H,22,27)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042028
PNG
(CHEMBL3360134)
Show SMILES Cc1cnnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O
Show InChI InChI=1S/C21H23FN6O4/c1-12-10-24-26-28(12)16-9-15(22)4-3-14(16)11-23-20(30)17-18(29)21(31)27(2)19(25-17)13-5-7-32-8-6-13/h3-4,9-10,13,29H,5-8,11H2,1-2H3,(H,23,30)
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042019
PNG
(CHEMBL3360125)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCN(C(C)(C)C)S2(=O)=O)c(O)c1=O)C1CCOC1
Show InChI InChI=1S/C23H30FN5O6S/c1-23(2,3)29-9-8-28(36(29,33)34)17-11-16(24)6-5-14(17)12-25-21(31)18-19(30)22(32)27(4)20(26-18)15-7-10-35-13-15/h5-6,11,15,30H,7-10,12-13H2,1-4H3,(H,25,31)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042030
PNG
(CHEMBL3360136)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCN(C(C)(C)C)S2(=O)=O)c(O)c1=O)C1CCOCC1
Show InChI InChI=1S/C24H32FN5O6S/c1-24(2,3)30-10-9-29(37(30,34)35)18-13-17(25)6-5-16(18)14-26-22(32)19-20(31)23(33)28(4)21(27-19)15-7-11-36-12-8-15/h5-6,13,15,31H,7-12,14H2,1-4H3,(H,26,32)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042018
PNG
(CHEMBL3352894)
Show SMILES Cn1cnnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O
Show InChI InChI=1S/C20H21FN6O4/c1-26-10-23-25-18(26)14-7-13(21)4-3-11(14)8-22-19(29)15-16(28)20(30)27(2)17(24-15)12-5-6-31-9-12/h3-4,7,10,12,28H,5-6,8-9H2,1-2H3,(H,22,29)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042008
PNG
(CHEMBL3360110)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1=CCOC1 |t:22|
Show InChI InChI=1S/C17H16FN3O4/c1-21-15(11-6-7-25-9-11)20-13(14(22)17(21)24)16(23)19-8-10-2-4-12(18)5-3-10/h2-6,22H,7-9H2,1H3,(H,19,23)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50042009
PNG
(CHEMBL3360109)
Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)-c1ccco1
Show InChI InChI=1S/C17H14FN3O4/c1-21-15(12-3-2-8-25-12)20-13(14(22)17(21)24)16(23)19-9-10-4-6-11(18)7-5-10/h2-8,22H,9H2,1H3,(H,19,23)
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity

Bioorg Med Chem Lett 25: 717-20 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.060
BindingDB Entry DOI: 10.7270/Q2JD4ZFN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%