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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50009819   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088252
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4',7,7...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c3Br)c2c1c(Br)c(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c2Br
Show InChI InChI=1S/C21H20Br4O16S4/c1-19(2)5-21(9-7(19)11(22)15(38-42(26,27)28)17(13(9)24)40-44(32,33)34)6-20(3,4)8-10(21)14(25)18(41-45(35,36)37)16(12(8)23)39-43(29,30)31/h5-6H2,1-4H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)/p-4
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UniChem
PubMed
n/an/a 350n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of strand -transfer (ST) activity in the presence of Mn2+

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088252
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4',7,7...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c3Br)c2c1c(Br)c(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c2Br
Show InChI InChI=1S/C21H20Br4O16S4/c1-19(2)5-21(9-7(19)11(22)15(38-42(26,27)28)17(13(9)24)40-44(32,33)34)6-20(3,4)8-10(21)14(25)18(41-45(35,36)37)16(12(8)23)39-43(29,30)31/h5-6H2,1-4H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)/p-4
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UniChem
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088251
PNG
(4,4',7,7'-tetrabromo-3,3,3',3'-tetramethyl-1,1'-sp...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(O)c(O)c3Br)c2c1c(Br)c(O)c(O)c2Br
Show InChI InChI=1S/C21H20Br4O4/c1-19(2)5-21(9-7(19)11(22)15(26)17(28)13(9)24)6-20(3,4)8-10(21)14(25)18(29)16(27)12(8)23/h26-29H,5-6H2,1-4H3
PDB
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UniChem
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n/an/a 1.78E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of strand -transfer (ST) activity in the presence of Mn2+

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088250
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-5,5',6,6...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)cc23)c2cc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)cc12
Show InChI InChI=1S/C21H24O16S4/c1-19(2)9-21(13-7-17(36-40(28,29)30)15(5-11(13)19)34-38(22,23)24)10-20(3,4)12-6-16(35-39(25,26)27)18(8-14(12)21)37-41(31,32)33/h5-8H,9-10H2,1-4H3,(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)/p-4
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of strand -transfer (ST) activity in the presence of Mn2+

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088250
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-5,5',6,6...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)cc23)c2cc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)cc12
Show InChI InChI=1S/C21H24O16S4/c1-19(2)9-21(13-7-17(36-40(28,29)30)15(5-11(13)19)34-38(22,23)24)10-20(3,4)12-6-16(35-39(25,26)27)18(8-14(12)21)37-41(31,32)33/h5-8H,9-10H2,1-4H3,(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)/p-4
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PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088249
PNG
(5,5'-diiodo-3,3,3',3'-tetramethyl-1,1'-spirobi[2,3...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(I)c(O)cc23)c2cc(O)c(I)cc12
Show InChI InChI=1S/C21H22I2O2/c1-19(2)9-21(13-7-17(24)15(22)5-11(13)19)10-20(3,4)12-6-16(23)18(25)8-14(12)21/h5-8,24-25H,9-10H2,1-4H3
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n/an/a 3.12E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of strand -transfer (ST) activity in the presence of Mn2+

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088251
PNG
(4,4',7,7'-tetrabromo-3,3,3',3'-tetramethyl-1,1'-sp...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(O)c(O)c3Br)c2c1c(Br)c(O)c(O)c2Br
Show InChI InChI=1S/C21H20Br4O4/c1-19(2)5-21(9-7(19)11(22)15(26)17(28)13(9)24)6-20(3,4)8-10(21)14(25)18(29)16(27)12(8)23/h26-29H,5-6H2,1-4H3
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UniChem
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n/an/a 3.14E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088252
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4',7,7...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c3Br)c2c1c(Br)c(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c2Br
Show InChI InChI=1S/C21H20Br4O16S4/c1-19(2)5-21(9-7(19)11(22)15(38-42(26,27)28)17(13(9)24)40-44(32,33)34)6-20(3,4)8-10(21)14(25)18(41-45(35,36)37)16(12(8)23)39-43(29,30)31/h5-6H2,1-4H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)/p-4
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UniChem
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Tested in vitro against strand -transfer (ST) activity in the presence of Mg2+ as the cationic cofactor

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088255
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi[2,3-dihydro-1H-...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(O)c(O)cc23)c2cc(O)c(O)cc12
Show InChI InChI=1S/C21H24O4/c1-19(2)9-21(13-7-17(24)15(22)5-11(13)19)10-20(3,4)12-6-16(23)18(25)8-14(12)21/h5-8,22-25H,9-10H2,1-4H3
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UniChem

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PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of strand -transfer (ST) activity in the presence of Mn2+

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088256
PNG
(6,6'-dihydroxy-3,3,3',3'-tetramethyl-1,1'-spirobi[...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(C=O)c(O)cc23)c2cc(O)c(C=O)cc12
Show InChI InChI=1S/C23H24O4/c1-21(2)11-23(17-7-19(26)13(9-24)5-15(17)21)12-22(3,4)16-6-14(10-25)20(27)8-18(16)23/h5-10,26-27H,11-12H2,1-4H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of strand -transfer (ST) activity in the presence of Mn2+

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088249
PNG
(5,5'-diiodo-3,3,3',3'-tetramethyl-1,1'-spirobi[2,3...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(I)c(O)cc23)c2cc(O)c(I)cc12
Show InChI InChI=1S/C21H22I2O2/c1-19(2)9-21(13-7-17(24)15(22)5-11(13)19)10-20(3,4)12-6-16(23)18(25)8-14(12)21/h5-8,24-25H,9-10H2,1-4H3
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n/an/a 6.28E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088254
PNG
(5,5'-dibromo-3,3,3',3'-tetramethyl-1,1'-spirobi[2,...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(Br)c(O)cc23)c2cc(O)c(Br)cc12
Show InChI InChI=1S/C21H22Br2O2/c1-19(2)9-21(13-7-17(24)15(22)5-11(13)19)10-20(3,4)12-6-16(23)18(25)8-14(12)21/h5-8,24-25H,9-10H2,1-4H3
PDB
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UniChem

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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of strand -transfer (ST) activity in the presence of Mn2+

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088254
PNG
(5,5'-dibromo-3,3,3',3'-tetramethyl-1,1'-spirobi[2,...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(Br)c(O)cc23)c2cc(O)c(Br)cc12
Show InChI InChI=1S/C21H22Br2O2/c1-19(2)9-21(13-7-17(24)15(22)5-11(13)19)10-20(3,4)12-6-16(23)18(25)8-14(12)21/h5-8,24-25H,9-10H2,1-4H3
PDB
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UniChem

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PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088262
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-6,6'-dio...)
Show SMILES CC1(C)CC2(CC(C)(C)c3ccc(OS([O-])(=O)=O)cc23)c2cc(OS([O-])(=O)=O)ccc12
Show InChI InChI=1S/C21H24O8S2/c1-19(2)11-21(17-9-13(5-7-15(17)19)28-30(22,23)24)12-20(3,4)16-8-6-14(10-18(16)21)29-31(25,26)27/h5-10H,11-12H2,1-4H3,(H,22,23,24)(H,25,26,27)/p-2
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PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of strand -transfer (ST) activity in the presence of Mn2+

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088251
PNG
(4,4',7,7'-tetrabromo-3,3,3',3'-tetramethyl-1,1'-sp...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(O)c(O)c3Br)c2c1c(Br)c(O)c(O)c2Br
Show InChI InChI=1S/C21H20Br4O4/c1-19(2)5-21(9-7(19)11(22)15(26)17(28)13(9)24)6-20(3,4)8-10(21)14(25)18(29)16(27)12(8)23/h26-29H,5-6H2,1-4H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Tested in vitro against strand -transfer (ST) activity in the presence of Mg2+ as the cationic cofactor

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088256
PNG
(6,6'-dihydroxy-3,3,3',3'-tetramethyl-1,1'-spirobi[...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(C=O)c(O)cc23)c2cc(O)c(C=O)cc12
Show InChI InChI=1S/C23H24O4/c1-21(2)11-23(17-7-19(26)13(9-24)5-15(17)21)12-22(3,4)16-6-14(10-25)20(27)8-18(16)23/h5-10,26-27H,11-12H2,1-4H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Tested in vitro against strand -transfer (ST) activity in the presence of Mg2+ as the cationic cofactor

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088255
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi[2,3-dihydro-1H-...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(O)c(O)cc23)c2cc(O)c(O)cc12
Show InChI InChI=1S/C21H24O4/c1-19(2)9-21(13-7-17(24)15(22)5-11(13)19)10-20(3,4)12-6-16(23)18(25)8-14(12)21/h5-8,22-25H,9-10H2,1-4H3
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PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088261
PNG
(3,3,3',3'-tetramethyl-5,5',7'-trinitro-1,1'-spirob...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(c(O)c(c23)[N+]([O-])=O)[N+]([O-])=O)c2cc(O)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C21H21N3O8/c1-19(2)8-21(11-7-15(25)13(22(27)28)5-10(11)19)9-20(3,4)12-6-14(23(29)30)18(26)17(16(12)21)24(31)32/h5-7,25-26H,8-9H2,1-4H3
PDB
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UniChem

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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of strand -transfer (ST) activity in the presence of Mn2+

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088262
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-6,6'-dio...)
Show SMILES CC1(C)CC2(CC(C)(C)c3ccc(OS([O-])(=O)=O)cc23)c2cc(OS([O-])(=O)=O)ccc12
Show InChI InChI=1S/C21H24O8S2/c1-19(2)11-21(17-9-13(5-7-15(17)19)28-30(22,23)24)12-20(3,4)16-8-6-14(10-18(16)21)29-31(25,26)27/h5-10H,11-12H2,1-4H3,(H,22,23,24)(H,25,26,27)/p-2
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088248
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-5,5'-dia...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc([NH3+])c(O)cc23)c2cc(O)c([NH3+])cc12
Show InChI InChI=1S/C21H26N2O2/c1-19(2)9-21(13-7-17(24)15(22)5-11(13)19)10-20(3,4)12-6-16(23)18(25)8-14(12)21/h5-8,24-25H,9-10,22-23H2,1-4H3/p+2
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Tested in vitro against strand -transfer (ST) activity in the presence of Mg2+ as the cationic cofactor

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088256
PNG
(6,6'-dihydroxy-3,3,3',3'-tetramethyl-1,1'-spirobi[...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(C=O)c(O)cc23)c2cc(O)c(C=O)cc12
Show InChI InChI=1S/C23H24O4/c1-21(2)11-23(17-7-19(26)13(9-24)5-15(17)21)12-22(3,4)16-6-14(10-25)20(27)8-18(16)23/h5-10,26-27H,11-12H2,1-4H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088261
PNG
(3,3,3',3'-tetramethyl-5,5',7'-trinitro-1,1'-spirob...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(c(O)c(c23)[N+]([O-])=O)[N+]([O-])=O)c2cc(O)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C21H21N3O8/c1-19(2)8-21(11-7-15(25)13(22(27)28)5-10(11)19)9-20(3,4)12-6-14(23(29)30)18(26)17(16(12)21)24(31)32/h5-7,25-26H,8-9H2,1-4H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088261
PNG
(3,3,3',3'-tetramethyl-5,5',7'-trinitro-1,1'-spirob...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(c(O)c(c23)[N+]([O-])=O)[N+]([O-])=O)c2cc(O)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C21H21N3O8/c1-19(2)8-21(11-7-15(25)13(22(27)28)5-10(11)19)9-20(3,4)12-6-14(23(29)30)18(26)17(16(12)21)24(31)32/h5-7,25-26H,8-9H2,1-4H3
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n/an/a 4.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Tested in vitro against strand -transfer (ST) activity in the presence of Mg2+ as the cationic cofactor

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088263
PNG
(3,3,3',3'-tetramethyl-5,7'-dinitro-1,1'-spirobi[2,...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(c(O)cc23)[N+]([O-])=O)c2c1ccc(O)c2[N+]([O-])=O
Show InChI InChI=1S/C21H22N2O6/c1-19(2)9-21(17-11(19)5-6-15(24)18(17)23(28)29)10-20(3,4)12-7-14(22(26)27)16(25)8-13(12)21/h5-8,24-25H,9-10H2,1-4H3
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n/an/a 4.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Molluscum contagiosum virus subtype 1)		BDBM50088251
PNG
(4,4',7,7'-tetrabromo-3,3,3',3'-tetramethyl-1,1'-sp...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(O)c(O)c3Br)c2c1c(Br)c(O)c(O)c2Br
Show InChI InChI=1S/C21H20Br4O4/c1-19(2)5-21(9-7(19)11(22)15(26)17(28)13(9)24)6-20(3,4)8-10(21)14(25)18(29)16(27)12(8)23/h26-29H,5-6H2,1-4H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
DNA cleavage and religation activity as inhibition of type 1B topoisomerase of molluscum contagiosum virus (MCV)

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088263
PNG
(3,3,3',3'-tetramethyl-5,7'-dinitro-1,1'-spirobi[2,...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(c(O)cc23)[N+]([O-])=O)c2c1ccc(O)c2[N+]([O-])=O
Show InChI InChI=1S/C21H22N2O6/c1-19(2)9-21(17-11(19)5-6-15(24)18(17)23(28)29)10-20(3,4)12-7-14(22(26)27)16(25)8-13(12)21/h5-8,24-25H,9-10H2,1-4H3
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n/an/a 5.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of strand -transfer (ST) activity in the presence of Mn2+

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088262
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-6,6'-dio...)
Show SMILES CC1(C)CC2(CC(C)(C)c3ccc(OS([O-])(=O)=O)cc23)c2cc(OS([O-])(=O)=O)ccc12
Show InChI InChI=1S/C21H24O8S2/c1-19(2)11-21(17-9-13(5-7-15(17)19)28-30(22,23)24)12-20(3,4)16-8-6-14(10-18(16)21)29-31(25,26)27/h5-10H,11-12H2,1-4H3,(H,22,23,24)(H,25,26,27)/p-2
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n/an/a 5.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Tested in vitro against strand -transfer (ST) activity in the presence of Mg2+ as the cationic cofactor

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088259
PNG
(6,6'-dihydroxy-3,3,3',3'-tetramethyl-1,1'-spirobi[...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(c(O)cc23)S(O)(=O)=O)c2cc(O)c(cc12)S(O)(=O)=O
Show InChI InChI=1S/C21H24O8S2/c1-19(2)9-21(13-5-15(22)17(7-11(13)19)30(24,25)26)10-20(3,4)12-8-18(31(27,28)29)16(23)6-14(12)21/h5-8,22-23H,9-10H2,1-4H3,(H,24,25,26)(H,27,28,29)
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Tested in vitro against strand -transfer (ST) activity in the presence of Mg2+ as the cationic cofactor

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Molluscum contagiosum virus subtype 1)		BDBM50088252
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4',7,7...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c3Br)c2c1c(Br)c(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c2Br
Show InChI InChI=1S/C21H20Br4O16S4/c1-19(2)5-21(9-7(19)11(22)15(38-42(26,27)28)17(13(9)24)40-44(32,33)34)6-20(3,4)8-10(21)14(25)18(41-45(35,36)37)16(12(8)23)39-43(29,30)31/h5-6H2,1-4H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)/p-4
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
DNA cleavage and religation activity as inhibition of type 1B topoisomerase of molluscum contagiosum virus (MCV)

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088263
PNG
(3,3,3',3'-tetramethyl-5,7'-dinitro-1,1'-spirobi[2,...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(c(O)cc23)[N+]([O-])=O)c2c1ccc(O)c2[N+]([O-])=O
Show InChI InChI=1S/C21H22N2O6/c1-19(2)9-21(17-11(19)5-6-15(24)18(17)23(28)29)10-20(3,4)12-7-14(22(26)27)16(25)8-13(12)21/h5-8,24-25H,9-10H2,1-4H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Tested in vitro against strand -transfer (ST) activity in the presence of Mg2+ as the cationic cofactor

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088253
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi[2,3-dihydro-1H-...)
Show SMILES CC1(C)CC2(CC(C)(C)c3ccc(O)cc23)c2cc(O)ccc12
Show InChI InChI=1S/C21H24O2/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,22-23H,11-12H2,1-4H3
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n/an/a 2.31E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of strand -transfer (ST) activity in the presence of Mn2+

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088253
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi[2,3-dihydro-1H-...)
Show SMILES CC1(C)CC2(CC(C)(C)c3ccc(O)cc23)c2cc(O)ccc12
Show InChI InChI=1S/C21H24O2/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,22-23H,11-12H2,1-4H3
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n/an/a 2.75E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088260
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-6,6'-dih...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(NC(N)=O)c(O)cc23)c2c1ccc(O)c2NC(N)=O
Show InChI InChI=1S/C23H28N4O4/c1-21(2)9-23(17-11(21)5-6-15(28)18(17)27-20(25)31)10-22(3,4)12-7-14(26-19(24)30)16(29)8-13(12)23/h5-8,28-29H,9-10H2,1-4H3,(H3,24,26,30)(H3,25,27,31)
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n/an/a 3.50E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of strand -transfer (ST) activity in the presence of Mn2+

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50088260
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-6,6'-dih...)
Show SMILES CC1(C)CC2(CC(C)(C)c3cc(NC(N)=O)c(O)cc23)c2c1ccc(O)c2NC(N)=O
Show InChI InChI=1S/C23H28N4O4/c1-21(2)9-23(17-11(21)5-6-15(28)18(17)27-20(25)31)10-22(3,4)12-7-14(26-19(24)30)16(29)8-13(12)23/h5-8,28-29H,9-10H2,1-4H3,(H3,24,26,30)(H3,25,27,31)
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n/an/a 4.20E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro

J Med Chem 43: 2031-9 (2000)


BindingDB Entry DOI: 10.7270/Q2B56J0B
More data for this
Ligand-Target Pair