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PubMed code 22154762

Compile data set for download or QSAR
Found 15 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)		BDBM50484523
PNG
(CHEMBL1928170)
Show SMILES Cc1c(nnn1Cc1cccc(F)c1)C(=O)\C=C(/O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C19H16FN3O5/c1-10-18(21-22-23(10)9-11-3-2-4-13(20)5-11)15(25)8-14(24)12-6-16(26)19(28)17(27)7-12/h2-8,24,26-28H,9H2,1H3/b14-8-
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n/an/a 780n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM25351
PNG
(N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...)
Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
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n/an/a 900n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50484517
PNG
(CHEMBL1928167)
Show SMILES Cc1c(nnn1Cc1ccc(F)cc1)C(=O)\C=C(/O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C19H16FN3O5/c1-10-18(21-22-23(10)9-11-2-4-13(20)5-3-11)15(25)8-14(24)12-6-16(26)19(28)17(27)7-12/h2-8,24,26-28H,9H2,1H3/b14-8-
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n/an/a 2.60E+3n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50484520
PNG
(CHEMBL1928169)
Show SMILES Cc1c(nnn1Cc1cccc(F)c1)C(=O)\C=C(/O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16FN3O4/c1-11-19(21-22-23(11)10-12-3-2-4-14(20)7-12)18(27)9-16(25)13-5-6-15(24)17(26)8-13/h2-9,24-26H,10H2,1H3/b16-9-
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n/an/a 3.20E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50484516
PNG
(CHEMBL1928166)
Show SMILES Cc1c(nnn1Cc1ccc(F)cc1)C(=O)\C=C(/O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16FN3O4/c1-11-19(21-22-23(11)10-12-2-5-14(20)6-3-12)18(27)9-16(25)13-4-7-15(24)17(26)8-13/h2-9,24-26H,10H2,1H3/b16-9-
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n/an/a 4.00E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50484515
PNG
(CHEMBL1928164)
Show SMILES COc1cc(cc(OC)c1OC)C(\O)=C\C(=O)c1nnn(Cc2cccc(F)c2)c1C
Show InChI InChI=1S/C22H22FN3O5/c1-13-21(24-25-26(13)12-14-6-5-7-16(23)8-14)18(28)11-17(27)15-9-19(29-2)22(31-4)20(10-15)30-3/h5-11,27H,12H2,1-4H3/b17-11-
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n/an/a>4.70E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50484519
PNG
(CHEMBL1928160)
Show SMILES COc1cc(cc(OC)c1OC)C(\O)=C\C(=O)c1nnn(Cc2ccc(F)cc2)c1C
Show InChI InChI=1S/C22H22FN3O5/c1-13-21(24-25-26(13)12-14-5-7-16(23)8-6-14)18(28)11-17(27)15-9-19(29-2)22(31-4)20(10-15)30-3/h5-11,27H,12H2,1-4H3/b17-11-
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Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50484524
PNG
(CHEMBL1928163)
Show SMILES COc1ccc(cc1OC)C(\O)=C\C(=O)c1nnn(Cc2cccc(F)c2)c1C
Show InChI InChI=1S/C21H20FN3O4/c1-13-21(23-24-25(13)12-14-5-4-6-16(22)9-14)18(27)11-17(26)15-7-8-19(28-2)20(10-15)29-3/h4-11,26H,12H2,1-3H3/b17-11-
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Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50484513
PNG
(CHEMBL1928159)
Show SMILES COc1ccc(cc1OC)C(\O)=C\C(=O)c1nnn(Cc2ccc(F)cc2)c1C
Show InChI InChI=1S/C21H20FN3O4/c1-13-21(23-24-25(13)12-14-4-7-16(22)8-5-14)18(27)11-17(26)15-6-9-19(28-2)20(10-15)29-3/h4-11,26H,12H2,1-3H3/b17-11-
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Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50484525
PNG
(CHEMBL1928162)
Show SMILES COc1ccc(cc1)C(\O)=C\C(=O)c1nnn(Cc2cccc(F)c2)c1C
Show InChI InChI=1S/C20H18FN3O3/c1-13-20(22-23-24(13)12-14-4-3-5-16(21)10-14)19(26)11-18(25)15-6-8-17(27-2)9-7-15/h3-11,25H,12H2,1-2H3/b18-11-
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n/an/a>5.40E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50484521
PNG
(CHEMBL1928158)
Show SMILES COc1ccc(cc1)C(\O)=C\C(=O)c1nnn(Cc2ccc(F)cc2)c1C
Show InChI InChI=1S/C20H18FN3O3/c1-13-20(22-23-24(13)12-14-3-7-16(21)8-4-14)19(26)11-18(25)15-5-9-17(27-2)10-6-15/h3-11,25H,12H2,1-2H3/b18-11-
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Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50484518
PNG
(CHEMBL1928168)
Show SMILES Cc1c(nnn1Cc1cccc(F)c1)C(=O)\C=C(/O)c1ccc(O)cc1
Show InChI InChI=1S/C19H16FN3O3/c1-12-19(18(26)10-17(25)14-5-7-16(24)8-6-14)21-22-23(12)11-13-3-2-4-15(20)9-13/h2-10,24-25H,11H2,1H3/b17-10-
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Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50484522
PNG
(CHEMBL1928165)
Show SMILES Cc1c(nnn1Cc1ccc(F)cc1)C(=O)\C=C(/O)c1ccc(O)cc1
Show InChI InChI=1S/C19H16FN3O3/c1-12-19(18(26)10-17(25)14-4-8-16(24)9-5-14)21-22-23(12)11-13-2-6-15(20)7-3-13/h2-10,24-25H,11H2,1H3/b17-10-
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Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50484514
PNG
(CHEMBL1928161)
Show SMILES Cc1c(nnn1Cc1cccc(F)c1)C(=O)\C=C(/O)c1ccccc1
Show InChI InChI=1S/C19H16FN3O2/c1-13-19(18(25)11-17(24)15-7-3-2-4-8-15)21-22-23(13)12-14-6-5-9-16(20)10-14/h2-11,24H,12H2,1H3/b17-11-
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n/an/a>5.90E+4n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50484512
PNG
(CHEMBL1928157)
Show SMILES Cc1c(nnn1Cc1ccc(F)cc1)C(=O)\C=C(/O)c1ccccc1
Show InChI InChI=1S/C19H16FN3O2/c1-13-19(18(25)11-17(24)15-5-3-2-4-6-15)21-22-23(13)12-14-7-9-16(20)10-8-14/h2-11,24H,12H2,1H3/b17-11-
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Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr

Bioorg Med Chem 20: 177-82 (2012)


Article DOI: 10.1016/j.bmc.2011.11.014
BindingDB Entry DOI: 10.7270/Q2NP278N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%