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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Simian sarcoma virus Pol protein' AND taxid = 11970   
Target
(Institution)
LigandTarget
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
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027112
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(CNN=C4CCCCCCCCCCCCCC4)c(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C53H77N3O11/c1-31-23-22-24-32(2)52(63)55-44-38(30-54-56-39-25-20-18-16-14-12-10-11-13-15-17-19-21-26-39)29-40-42(48(44)61)47(60)36(6)50-43(40)51(62)53(8,67-50)65-28-27-41(64-9)33(3)49(66-37(7)57)35(5)46(59)34(4)45(31)58/h22-24,27-29,31,33-35,41,45-46,49,54,58-61H,10-21,25-26,30H2,1-9H3,(H,55,63)/b23-22?,28-27+,32-24?
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n/an/a 850n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027130
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES CCCCCCCCO\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4
Show InChI InChI=1S/C46H64N2O12/c1-11-12-13-14-15-16-21-58-47-24-32-23-33-35-40(52)30(7)43-36(33)44(54)46(9,60-43)57-22-20-34(56-10)27(4)42(59-31(8)49)29(6)39(51)28(5)38(50)25(2)18-17-19-26(3)45(55)48-37(32)41(35)53/h17-20,22-25,27-29,34,38-39,42,50-53H,11-16,21H2,1-10H3,(H,48,55)/b18-17+,22-20+,26-19-,47-24+
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027109
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\OC(c4ccccc4)c4ccccc4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C51H58N2O12/c1-27-17-16-18-28(2)50(60)53-41-36(26-52-65-48(34-19-12-10-13-20-34)35-21-14-11-15-22-35)25-37-39(45(41)58)44(57)32(6)47-40(37)49(59)51(8,64-47)62-24-23-38(61-9)29(3)46(63-33(7)54)31(5)43(56)30(4)42(27)55/h10-27,29-31,38,42-43,46,48,55-58H,1-9H3,(H,53,60)/b17-16+,24-23+,28-18-,52-26+
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027121
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES CCCCCCCCN(CCCCCCCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4
Show InChI InChI=1S/C54H81N3O11/c1-12-14-16-18-20-22-28-57(29-23-21-19-17-15-13-2)55-32-40-31-41-43-48(61)38(8)51-44(41)52(63)54(10,68-51)66-30-27-42(65-11)35(5)50(67-39(9)58)37(7)47(60)36(6)46(59)33(3)25-24-26-34(4)53(64)56-45(40)49(43)62/h24-27,30-33,35-37,42,46-47,50,59-62H,12-23,28-29H2,1-11H3,(H,56,64)/b25-24+,30-27+,34-26-,55-32+
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n/an/a 3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027126
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C50H71N3O11/c1-29-21-20-22-30(2)49(60)52-41-36(28-51-53-24-18-16-14-12-10-11-13-15-17-19-25-53)27-37-39(45(41)58)44(57)34(6)47-40(37)48(59)50(8,64-47)62-26-23-38(61-9)31(3)46(63-35(7)54)33(5)43(56)32(4)42(29)55/h20-23,26-29,31-33,38,42-43,46,55-58H,10-19,24-25H2,1-9H3,(H,52,60)/b21-20+,26-23+,30-22-,51-28+
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n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027114
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES CCCCCN(CCCCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4
Show InChI InChI=1S/C48H69N3O11/c1-12-14-16-22-51(23-17-15-13-2)49-26-34-25-35-37-42(55)32(8)45-38(35)46(57)48(10,62-45)60-24-21-36(59-11)29(5)44(61-33(9)52)31(7)41(54)30(6)40(53)27(3)19-18-20-28(4)47(58)50-39(34)43(37)56/h18-21,24-27,29-31,36,40-41,44,53-56H,12-17,22-23H2,1-11H3,(H,50,58)/b19-18+,24-21+,28-20-,49-26+
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n/an/a 4.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027128
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc([CH-]\N=[NH+]\c4ccc(cc4[N+]([O-])=O)[N+]([O-])=O)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C44H50N5O15/c1-20-11-10-12-21(2)43(56)46-35-27(19-45-47-30-14-13-28(48(57)58)18-31(30)49(59)60)17-29-33(39(35)54)38(53)25(6)41-34(29)42(55)44(8,64-41)62-16-15-32(61-9)22(3)40(63-26(7)50)24(5)37(52)23(4)36(20)51/h10-20,22-24,32,36-37,40,51-54H,1-9H3,(H,46,56)/q-1/p+1/b11-10+,16-15+,21-12-,47-45+
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027113
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\OCCCc4ccccc4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C47H58N2O12/c1-25-15-13-16-26(2)46(56)49-38-33(24-48-59-21-14-19-32-17-11-10-12-18-32)23-34-36(42(38)54)41(53)30(6)44-37(34)45(55)47(8,61-44)58-22-20-35(57-9)27(3)43(60-31(7)50)29(5)40(52)28(4)39(25)51/h10-13,15-18,20,22-25,27-29,35,39-40,43,51-54H,14,19,21H2,1-9H3,(H,49,56)/b15-13+,22-20+,26-16-,48-24+
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027120
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCCCCCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C53H77N3O11/c1-32-24-23-25-33(2)52(63)55-44-39(31-54-56-27-21-19-17-15-13-11-10-12-14-16-18-20-22-28-56)30-40-42(48(44)61)47(60)37(6)50-43(40)51(62)53(8,67-50)65-29-26-41(64-9)34(3)49(66-38(7)57)36(5)46(59)35(4)45(32)58/h23-26,29-32,34-36,41,45-46,49,58-61H,10-22,27-28H2,1-9H3,(H,55,63)/b24-23+,29-26+,33-25-,54-31+
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027124
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C48H67N3O11/c1-27-19-18-20-28(2)47(58)50-39-34(26-49-51-22-16-14-12-10-11-13-15-17-23-51)25-35-37(43(39)56)42(55)32(6)45-38(35)46(57)48(8,62-45)60-24-21-36(59-9)29(3)44(61-33(7)52)31(5)41(54)30(4)40(27)53/h18-21,24-27,29-31,36,40-41,44,53-56H,10-17,22-23H2,1-9H3,(H,50,58)/b19-18+,24-21+,28-20-,49-26+
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027129
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(Cc5cccc(OC)c5)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C50H64N4O12/c1-27-13-11-14-28(2)49(61)52-41-35(25-51-54-20-18-53(19-21-54)26-34-15-12-16-36(23-34)62-9)24-37-39(45(41)59)44(58)32(6)47-40(37)48(60)50(8,66-47)64-22-17-38(63-10)29(3)46(65-33(7)55)31(5)43(57)30(4)42(27)56/h11-17,22-25,27,29-31,38,42-43,46,56-59H,18-21,26H2,1-10H3,(H,52,61)/b13-11+,22-17+,28-14-,51-25+
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027123
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4C(C)CN(Cc5ccccc5)CC4C)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C51H66N4O11/c1-27-16-15-17-28(2)50(62)53-42-37(23-52-55-29(3)24-54(25-30(55)4)26-36-18-13-12-14-19-36)22-38-40(46(42)60)45(59)34(8)48-41(38)49(61)51(10,66-48)64-21-20-39(63-11)31(5)47(65-35(9)56)33(7)44(58)32(6)43(27)57/h12-23,27,29-33,39,43-44,47,57-60H,24-26H2,1-11H3,(H,53,62)/b16-15+,21-20+,28-17-,52-23+
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n/an/a 1.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027117
PNG
(2,15,17,26,29-pentahydroxy-11-methoxy-3,7,12,14,16...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(O)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-28-24(40)15-23-26(32(28)44)31(43)21(6)34-27(23)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027115
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES CCCN(CCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4
Show InChI InChI=1S/C44H61N3O11/c1-12-18-47(19-13-2)45-22-30-21-31-33-38(51)28(8)41-34(31)42(53)44(10,58-41)56-20-17-32(55-11)25(5)40(57-29(9)48)27(7)37(50)26(6)36(49)23(3)15-14-16-24(4)43(54)46-35(30)39(33)52/h14-17,20-23,25-27,32,36-37,40,49-52H,12-13,18-19H2,1-11H3,(H,46,54)/b15-14+,20-17+,24-16-,45-22+
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n/an/a 1.35E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027125
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4C(C)CN(Cc5ccc(cc5)C#N)CC4C)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C52H65N5O11/c1-27-13-12-14-28(2)51(64)55-43-38(23-54-57-29(3)24-56(25-30(57)4)26-37-17-15-36(22-53)16-18-37)21-39-41(47(43)62)46(61)34(8)49-42(39)50(63)52(10,68-49)66-20-19-40(65-11)31(5)48(67-35(9)58)33(7)45(60)32(6)44(27)59/h12-21,23,27,29-33,40,44-45,48,59-62H,24-26H2,1-11H3,(H,55,64)/b13-12+,20-19+,28-14-,54-23+
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027110
PNG
(26-formyl-2,15,17,29-tetrahydroxy-11-methoxy-3,7,1...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(C=O)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C38H47NO12/c1-17-11-10-12-18(2)37(47)39-29-24(16-40)15-25-27(33(29)45)32(44)22(6)35-28(25)36(46)38(8,51-35)49-14-13-26(48-9)19(3)34(50-23(7)41)21(5)31(43)20(4)30(17)42/h10-17,19-21,26,30-31,34,42-45H,1-9H3,(H,39,47)/b11-10+,14-13+,18-12-
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027116
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C42H55N3O11/c1-21-13-12-14-22(2)41(52)44-33-28(20-43-45-16-10-11-17-45)19-29-31(37(33)50)36(49)26(6)39-32(29)40(51)42(8,56-39)54-18-15-30(53-9)23(3)38(55-27(7)46)25(5)35(48)24(4)34(21)47/h12-15,18-21,23-25,30,34-35,38,47-50H,10-11,16-17H2,1-9H3,(H,44,52)/b13-12+,18-15+,22-14-,43-20+
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027111
PNG
(26-(4-aminohexahydro-1-pyrazinyliminomethyl)-2,15,...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(N)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C42H57N5O11/c1-21-11-10-12-22(2)41(54)45-33-28(20-44-47-16-14-46(43)15-17-47)19-29-31(37(33)52)36(51)26(6)39-32(29)40(53)42(8,58-39)56-18-13-30(55-9)23(3)38(57-27(7)48)25(5)35(50)24(4)34(21)49/h10-13,18-21,23-25,30,34-35,38,49-52H,14-17,43H2,1-9H3,(H,45,54)/b11-10+,18-13+,22-12-,44-20+
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027118
PNG
(26-diethylaminomethyl-2,15,17,29-tetrahydroxy-11-m...)
Show SMILES CCN(CC)Cc1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4
Show InChI InChI=1S/C42H58N2O11/c1-12-44(13-2)20-28-19-29-31-36(48)26(8)39-32(29)40(50)42(10,55-39)53-18-17-30(52-11)23(5)38(54-27(9)45)25(7)35(47)24(6)34(46)21(3)15-14-16-22(4)41(51)43-33(28)37(31)49/h14-19,21,23-25,30,34-35,38,46-49H,12-13,20H2,1-11H3,(H,43,51)/b15-14+,18-17+,22-16-
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027119
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C43H58N4O11/c1-22-12-11-13-23(2)42(54)45-34-29(21-44-47-17-15-46(9)16-18-47)20-30-32(38(34)52)37(51)27(6)40-33(30)41(53)43(8,58-40)56-19-14-31(55-10)24(3)39(57-28(7)48)26(5)36(50)25(4)35(22)49/h11-14,19-22,24-26,31,35-36,39,49-52H,15-18H2,1-10H3,(H,45,54)/b12-11+,19-14+,23-13-,44-21+
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n/an/a 4.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027122
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2ccc(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C37H47NO11/c1-17-11-10-12-18(2)36(45)38-25-14-13-24-27(32(25)43)31(42)22(6)34-28(24)35(44)37(8,49-34)47-16-15-26(46-9)19(3)33(48-23(7)39)21(5)30(41)20(4)29(17)40/h10-17,19-21,26,29-30,33,40-43H,1-9H3,(H,38,45)/b11-10+,16-15+,18-12-
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n/an/a 3.70E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50027127
PNG
(26-hexahydro-1-pyrazinylmethyl-2,15,17,29-tetrahyd...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(CN4CCNCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C42H57N3O11/c1-21-11-10-12-22(2)41(52)44-33-28(20-45-16-14-43-15-17-45)19-29-31(37(33)50)36(49)26(6)39-32(29)40(51)42(8,56-39)54-18-13-30(53-9)23(3)38(55-27(7)46)25(5)35(48)24(4)34(21)47/h10-13,18-19,21,23-25,30,34-35,38,43,47-50H,14-17,20H2,1-9H3,(H,44,52)/b11-10+,18-13+,22-12-
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n/an/a 1.45E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian sarcoma virus reverse transcriptase


J Med Chem 23: 256-61 (1980)

More data for this
Ligand-Target Pair