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PubMed code 21568335

Compile data set for download or QSAR
Found 16 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


(Human immunodeficiency virus 1)		BDBM33411
PNG
(β-Thujaplicinol | hydroxytropolone, 3)
Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1
Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)
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n/an/a 210n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484003
PNG
(CHEMBL1802249)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CS(=O)(=O)CC |r|
Show InChI InChI=1S/C17H24O6S/c1-4-24(22,23)9-17(3,21)11-5-6-12-13(8-11)10(2)7-14(18)16(20)15(12)19/h7,11,21H,4-6,8-9H2,1-3H3,(H2,18,19,20)/t11-,17?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484009
PNG
(CHEMBL1802246)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CSCC |r|
Show InChI InChI=1S/C17H24O4S/c1-4-22-9-17(3,21)11-5-6-12-13(8-11)10(2)7-14(18)16(20)15(12)19/h7,11,21H,4-6,8-9H2,1-3H3,(H2,18,19,20)/t11-,17?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484014
PNG
(CHEMBL1802034)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CN(CC)CC |r|
Show InChI InChI=1S/C19H29NO4/c1-5-20(6-2)11-19(4,24)13-7-8-14-15(10-13)12(3)9-16(21)18(23)17(14)22/h9,13,24H,5-8,10-11H2,1-4H3,(H2,21,22,23)/t13-,19?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484004
PNG
(CHEMBL1802251)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H24O6S/c1-13-10-18(22)20(24)19(23)16-9-8-14(11-17(13)16)21(2,25)12-28(26,27)15-6-4-3-5-7-15/h3-7,10,14,25H,8-9,11-12H2,1-2H3,(H2,22,23,24)/t14-,21?/m0/s1
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n/an/a 510n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484017
PNG
(CHEMBL1802031)
Show SMILES CC(=C)[C@H]1CCc2c(C1)c(C)cc(O)c(=O)c2O |r|
Show InChI InChI=1S/C15H18O3/c1-8(2)10-4-5-11-12(7-10)9(3)6-13(16)15(18)14(11)17/h6,10H,1,4-5,7H2,2-3H3,(H2,16,17,18)/t10-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484015
PNG
(CHEMBL1802253)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)O |r|
Show InChI InChI=1S/C14H18O4/c1-7-5-12(16)14(18)13(17)10-4-3-9(8(2)15)6-11(7)10/h5,8-9,15H,3-4,6H2,1-2H3,(H2,16,17,18)/t8?,9-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484005
PNG
(CHEMBL1802032)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CN1CCCCC1 |r|
Show InChI InChI=1S/C20H29NO4/c1-13-10-17(22)19(24)18(23)15-7-6-14(11-16(13)15)20(2,25)12-21-8-4-3-5-9-21/h10,14,25H,3-9,11-12H2,1-2H3,(H2,22,23,24)/t14-,20?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484006
PNG
(CHEMBL1802247)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CSc1ccccc1 |r|
Show InChI InChI=1S/C21H24O4S/c1-13-10-18(22)20(24)19(23)16-9-8-14(11-17(13)16)21(2,25)12-26-15-6-4-3-5-7-15/h3-7,10,14,25H,8-9,11-12H2,1-2H3,(H2,22,23,24)/t14-,21?/m0/s1
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n/an/a 930n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484012
PNG
(CHEMBL1802254)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)NCc1ccccc1 |r|
Show InChI InChI=1S/C21H25NO3/c1-13-10-19(23)21(25)20(24)17-9-8-16(11-18(13)17)14(2)22-12-15-6-4-3-5-7-15/h3-7,10,14,16,22H,8-9,11-12H2,1-2H3,(H2,23,24,25)/t14?,16-/m0/s1
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n/an/a 960n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484010
PNG
(CHEMBL1802244)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CNCc1ccccc1F |r|
Show InChI InChI=1S/C22H26FNO4/c1-13-9-19(25)21(27)20(26)16-8-7-15(10-17(13)16)22(2,28)12-24-11-14-5-3-4-6-18(14)23/h3-6,9,15,24,28H,7-8,10-12H2,1-2H3,(H2,25,26,27)/t15-,22?/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484011
PNG
(CHEMBL1802245)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CNc1ccccc1 |r|
Show InChI InChI=1S/C21H25NO4/c1-13-10-18(23)20(25)19(24)16-9-8-14(11-17(13)16)21(2,26)12-22-15-6-4-3-5-7-15/h3-7,10,14,22,26H,8-9,11-12H2,1-2H3,(H2,23,24,25)/t14-,21?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484007
PNG
(CHEMBL1802248)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)CSCc1ccccc1 |r|
Show InChI InChI=1S/C22H26O4S/c1-14-10-19(23)21(25)20(24)17-9-8-16(11-18(14)17)22(2,26)13-27-12-15-6-4-3-5-7-15/h3-7,10,16,26H,8-9,11-13H2,1-2H3,(H2,23,24,25)/t16-,22?/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484016
PNG
(CHEMBL1802250)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)C[S+]([O-])c1ccccc1 |r|
Show InChI InChI=1S/C21H24O5S/c1-13-10-18(22)20(24)19(23)16-9-8-14(11-17(13)16)21(2,25)12-27(26)15-6-4-3-5-7-15/h3-7,10,14,25H,8-9,11-12H2,1-2H3,(H2,22,23,24)/t14-,21?,27?/m0/s1
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National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484008
PNG
(CHEMBL1802033)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(O)c(=O)c2O)C(C)(O)Cn1ccnc1 |r|
Show InChI InChI=1S/C18H22N2O4/c1-11-7-15(21)17(23)16(22)13-4-3-12(8-14(11)13)18(2,24)9-20-6-5-19-10-20/h5-7,10,12,24H,3-4,8-9H2,1-2H3,(H2,21,22,23)/t12-,18?/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50484013
PNG
(CHEMBL1802252)
Show SMILES [H][C@@]1(CCc2c(C1)c(C)cc(OC(C)=O)c(=O)c2OC(C)=O)C(C)(O)CO |r|
Show InChI InChI=1S/C19H24O7/c1-10-7-16(25-11(2)21)17(23)18(26-12(3)22)14-6-5-13(8-15(10)14)19(4,24)9-20/h7,13,20,24H,5-6,8-9H2,1-4H3/t13-,19?/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at...

J Med Chem 54: 4462-73 (2011)


Article DOI: 10.1021/jm2000757
BindingDB Entry DOI: 10.7270/Q26T0QH5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%