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Compile Data Set for Download or QSAR

Found 13 hits of ki for UniProtKB: P03359   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50222128
PNG
(CHEMBL313218)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCC4)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/C43H57N3O11/c1-22-14-13-15-23(2)42(53)45-34-29(21-44-46-17-11-10-12-18-46)20-30-32(38(34)51)37(50)27(6)40-33(30)41(52)43(8,57-40)55-19-16-31(54-9)24(3)39(56-28(7)47)26(5)36(49)25(4)35(22)48/h13-16,19-22,24-26,31,35-36,39,48-51H,10-12,17-18H2,1-9H3,(H,45,53)/b14-13+,19-16+,23-15-,44-21+
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1.74E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50222129
PNG
(CHEMBL313144)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCC4)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/C44H59N3O11/c1-23-15-14-16-24(2)43(54)46-35-30(22-45-47-18-12-10-11-13-19-47)21-31-33(39(35)52)38(51)28(6)41-34(31)42(53)44(8,58-41)56-20-17-32(55-9)25(3)40(57-29(7)48)27(5)37(50)26(4)36(23)49/h14-17,20-23,25-27,32,36-37,40,49-52H,10-13,18-19H2,1-9H3,(H,46,54)/b15-14+,20-17+,24-16-,45-22+
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3.09E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50222130
PNG
(CHEMBL314586)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCC4)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/C45H61N3O11/c1-24-16-15-17-25(2)44(55)47-36-31(23-46-48-19-13-11-10-12-14-20-48)22-32-34(40(36)53)39(52)29(6)42-35(32)43(54)45(8,59-42)57-21-18-33(56-9)26(3)41(58-30(7)49)28(5)38(51)27(4)37(24)50/h15-18,21-24,26-28,33,37-38,41,50-53H,10-14,19-20H2,1-9H3,(H,47,55)/b16-15+,21-18+,25-17-,46-23+
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5.89E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
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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1.07E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50222127
PNG
(CHEMBL90395)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCC4)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/C46H63N3O11/c1-25-17-16-18-26(2)45(56)48-37-32(24-47-49-20-14-12-10-11-13-15-21-49)23-33-35(41(37)54)40(53)30(6)43-36(33)44(55)46(8,60-43)58-22-19-34(57-9)27(3)42(59-31(7)50)29(5)39(52)28(4)38(25)51/h16-19,22-25,27-29,34,38-39,42,51-54H,10-15,20-21H2,1-9H3,(H,48,56)/b17-16+,22-19+,26-18-,47-24+
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1.12E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50222125
PNG
(CHEMBL330258)
Show SMILES CCCCN(CCCC)\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/C46H65N3O11/c1-12-14-20-49(21-15-13-2)47-24-32-23-33-35-40(53)30(8)43-36(33)44(55)46(10,60-43)58-22-19-34(57-11)27(5)42(59-31(9)50)29(7)39(52)28(6)38(51)25(3)17-16-18-26(4)45(56)48-37(32)41(35)54/h16-19,22-25,27-29,34,38-39,42,51-54H,12-15,20-21H2,1-11H3,(H,48,56)/b17-16+,22-19+,26-18-,47-24+
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1.15E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50222131
PNG
(CHEMBL89212)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4C(C)CC(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/C52H67N3O11/c1-27-16-15-17-28(2)51(62)54-43-38(26-53-55-29(3)22-37(23-30(55)4)24-36-18-13-12-14-19-36)25-39-41(47(43)60)46(59)34(8)49-42(39)50(61)52(10,66-49)64-21-20-40(63-11)31(5)48(65-35(9)56)33(7)45(58)32(6)44(27)57/h12-21,25-27,29-33,37,40,44-45,48,57-60H,22-24H2,1-11H3,(H,54,62)/b16-15+,21-20+,28-17-,53-26+
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1.70E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
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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2.04E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
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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2.34E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
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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2.45E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
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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3.31E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
Simian sarcoma virus Pol protein


(Woolly monkey sarcoma virus)
BDBM50222126
PNG
(CHEMBL88940)
Show SMILES CCCCCCN(CCCCCC)\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/C50H73N3O11/c1-12-14-16-18-24-53(25-19-17-15-13-2)51-28-36-27-37-39-44(57)34(8)47-40(37)48(59)50(10,64-47)62-26-23-38(61-11)31(5)46(63-35(9)54)33(7)43(56)32(6)42(55)29(3)21-20-22-30(4)49(60)52-41(36)45(39)58/h20-23,26-29,31-33,38,42-43,46,55-58H,12-19,24-25H2,1-11H3,(H,52,60)/b21-20+,26-23+,30-22-,51-28+
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3.98E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
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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5.01E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.


J Med Chem 23: 256-61 (1980)


Article DOI: 10.1021/jm00177a009
BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair