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PubMed code 16913724

Compile data set for download or QSAR
Found 17 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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193562
PNG
(CHEMBL263515 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)NCC(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:39|
Show InChI InChI=1S/C34H62N6O10SSi2/c1-21(2)26(36)28(42)38-17-25(41)37-15-14-16-39-29(43)22(3)18-40(31(39)44)30-27(49-53(12,13)33(7,8)9)34(23(35)20-51(45,46)50-34)24(48-30)19-47-52(10,11)32(4,5)6/h18,20-21,24,26-27,30H,14-17,19,35-36H2,1-13H3,(H,37,41)(H,38,42)/t24?,26-,27?,30?,34?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193556
PNG
(CHEMBL213257 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(N)=O)c1=O |c:21|
Show InChI InChI=1S/C36H63N7O11SSi2/c1-22-19-43(33(48)42(30(22)46)17-13-15-40-29(45)24-14-12-16-41(24)31(47)23(37)18-27(39)44)32-28(53-57(10,11)35(5,6)7)36(25(38)21-55(49,50)54-36)26(52-32)20-51-56(8,9)34(2,3)4/h19,21,23-24,26,28,32H,12-18,20,37-38H2,1-11H3,(H2,39,44)(H,40,45)/t23-,24-,26?,28?,32?,36?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193557
PNG
(CHEMBL212339 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:50|
Show InChI InChI=1S/C42H75N7O11SSi2/c1-25(2)31(44)37(53)47-20-16-18-28(47)34(50)46-32(26(3)4)35(51)45-19-17-21-48-36(52)27(5)22-49(39(48)54)38-33(59-63(14,15)41(9,10)11)42(29(43)24-61(55,56)60-42)30(58-38)23-57-62(12,13)40(6,7)8/h22,24-26,28,30-33,38H,16-21,23,43-44H2,1-15H3,(H,45,51)(H,46,50)/t28-,30?,31-,32-,33?,38?,42?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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PC sid
UniChem
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PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193563
PNG
(CHEMBL378037 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:43|
Show InChI InChI=1S/C38H70N6O10SSi2/c1-23(2)19-26(42-32(46)29(40)24(3)4)31(45)41-17-16-18-43-33(47)25(5)20-44(35(43)48)34-30(53-57(14,15)37(9,10)11)38(27(39)22-55(49,50)54-38)28(52-34)21-51-56(12,13)36(6,7)8/h20,22-24,26,28-30,34H,16-19,21,39-40H2,1-15H3,(H,41,45)(H,42,46)/t26-,28?,29-,30?,34?,38?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
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PC sid
UniChem
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PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193560
PNG
(CHEMBL380211 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)c1=O |c:21|
Show InChI InChI=1S/C38H69N7O10SSi2/c1-25-22-45(35(49)44(32(25)47)21-15-19-42-31(46)27-17-14-20-43(27)33(48)26(40)16-12-13-18-39)34-30(54-58(10,11)37(5,6)7)38(28(41)24-56(50,51)55-38)29(53-34)23-52-57(8,9)36(2,3)4/h22,24,26-27,29-30,34H,12-21,23,39-41H2,1-11H3,(H,42,46)/t26-,27-,29?,30?,34?,38?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
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PC cid
PC sid
UniChem
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PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193559
PNG
(CHEMBL214795 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:45|
Show InChI InChI=1S/C37H66N6O12SSi2/c1-21(2)26(39)32(48)42-18-23(44)28(45)27(42)30(46)40-15-14-16-41-31(47)22(3)17-43(34(41)49)33-29(54-58(12,13)36(7,8)9)37(24(38)20-56(50,51)55-37)25(53-33)19-52-57(10,11)35(4,5)6/h17,20-21,23,25-29,33,44-45H,14-16,18-19,38-39H2,1-13H3,(H,40,46)/t23-,25?,26-,27-,28-,29?,33?,37?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193558
PNG
(CHEMBL383894 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:40|
Show InChI InChI=1S/C35H64N6O10SSi2/c1-21(2)26(37)29(43)39-23(4)28(42)38-16-15-17-40-30(44)22(3)18-41(32(40)45)31-27(50-54(13,14)34(8,9)10)35(24(36)20-52(46,47)51-35)25(49-31)19-48-53(11,12)33(5,6)7/h18,20-21,23,25-27,31H,15-17,19,36-37H2,1-14H3,(H,38,42)(H,39,43)/t23-,25?,26-,27?,31?,35?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193554
PNG
(CHEMBL438175 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:43|
Show InChI InChI=1S/C37H66N6O10SSi2/c1-23(2)28(39)32(46)41-18-14-16-25(41)30(44)40-17-15-19-42-31(45)24(3)20-43(34(42)47)33-29(52-56(12,13)36(7,8)9)37(26(38)22-54(48,49)53-37)27(51-33)21-50-55(10,11)35(4,5)6/h20,22-23,25,27-29,33H,14-19,21,38-39H2,1-13H3,(H,40,44)/t25-,27?,28-,29?,33?,37?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193564
PNG
(CHEMBL385844 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:35|
Show InChI InChI=1S/C32H59N5O9SSi2/c1-20(2)24(34)26(38)35-15-14-16-36-27(39)21(3)17-37(29(36)40)28-25(45-49(12,13)31(7,8)9)32(22(33)19-47(41,42)46-32)23(44-28)18-43-48(10,11)30(4,5)6/h17,19-20,23-25,28H,14-16,18,33-34H2,1-13H3,(H,35,38)/t23?,24-,25?,28?,32?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193565
PNG
(CHEMBL445417 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:47|
Show InChI InChI=1S/C41H68N6O10SSi2/c1-26(2)32(43)35(49)45-29(22-28-18-15-14-16-19-28)34(48)44-20-17-21-46-36(50)27(3)23-47(38(46)51)37-33(56-60(12,13)40(7,8)9)41(30(42)25-58(52,53)57-41)31(55-37)24-54-59(10,11)39(4,5)6/h14-16,18-19,23,25-26,29,31-33,37H,17,20-22,24,42-43H2,1-13H3,(H,44,48)(H,45,49)/t29-,31?,32-,33?,37?,41?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193551
PNG
(CHEMBL405279 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(O)=O)c1=O |c:21|
Show InChI InChI=1S/C36H62N6O12SSi2/c1-22-19-42(33(48)41(30(22)46)17-13-15-39-29(45)24-14-12-16-40(24)31(47)23(37)18-27(43)44)32-28(53-57(10,11)35(5,6)7)36(25(38)21-55(49,50)54-36)26(52-32)20-51-56(8,9)34(2,3)4/h19,21,23-24,26,28,32H,12-18,20,37-38H2,1-11H3,(H,39,45)(H,43,44)/t23-,24-,26?,28?,32?,36?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
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PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50192301
PNG
(1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCN)c1=O |c:21|
Show InChI InChI=1S/C27H50N4O8SSi2/c1-18-15-31(24(33)30(22(18)32)14-12-13-28)23-21(38-42(10,11)26(5,6)7)27(19(29)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h15,17,20-21,23H,12-14,16,28-29H2,1-11H3/t20-,21+,23-,27-/m1/s1
PDB
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UniProtKB/TrEMBL

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UniChem
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n/an/a 8.10E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193552
PNG
(CHEMBL379994 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)c1=O |c:21|
Show InChI InChI=1S/C41H66N6O11SSi2/c1-26-23-47(37-33(57-61(10,11)40(5,6)7)41(31(43)25-59(53,54)58-41)32(56-37)24-55-60(8,9)39(2,3)4)38(52)46(35(26)50)21-13-19-44-34(49)30-14-12-20-45(30)36(51)29(42)22-27-15-17-28(48)18-16-27/h15-18,23,25,29-30,32-33,37,48H,12-14,19-22,24,42-43H2,1-11H3,(H,44,49)/t29-,30-,32?,33?,37?,41?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
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PC sid
UniChem
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PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193550
PNG
(CHEMBL213365 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)CN)c1=O |c:21|
Show InChI InChI=1S/C34H60N6O10SSi2/c1-22-19-40(31(44)39(29(22)43)17-13-15-37-28(42)23-14-12-16-38(23)26(41)18-35)30-27(49-53(10,11)33(5,6)7)34(24(36)21-51(45,46)50-34)25(48-30)20-47-52(8,9)32(2,3)4/h19,21,23,25,27,30H,12-18,20,35-36H2,1-11H3,(H,37,42)/t23-,25?,27?,30?,34?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
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UniChem
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PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193553
PNG
(CHEMBL379485 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:44|
Show InChI InChI=1S/C37H66N6O11SSi2/c1-22(2)28(39)32(47)42-19-24(44)17-25(42)30(45)40-15-14-16-41-31(46)23(3)18-43(34(41)48)33-29(53-57(12,13)36(7,8)9)37(26(38)21-55(49,50)54-37)27(52-33)20-51-56(10,11)35(4,5)6/h18,21-22,24-25,27-29,33,44H,14-17,19-20,38-39H2,1-13H3,(H,40,45)/t24-,25+,27?,28+,29?,33?,37?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193555
PNG
(CHEMBL408333 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:43|
Show InChI InChI=1S/C37H66N6O10SSi2/c1-23(2)28(39)32(46)41-18-14-16-25(41)30(44)40-17-15-19-42-31(45)24(3)20-43(34(42)47)33-29(52-56(12,13)36(7,8)9)37(26(38)22-54(48,49)53-37)27(51-33)21-50-55(10,11)35(4,5)6/h20,22-23,25,27-29,33H,14-19,21,38-39H2,1-13H3,(H,40,44)/t25-,27?,28+,29?,33?,37?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193566
PNG
(CHEMBL378646 | [1-[2',5'-bis-O-(tert-butyldimethyl...)
Show SMILES CC(C)[C@H](N)C(=O)N1C[C@@H](C[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O)OCc1ccccc1 |c:43|
Show InChI InChI=1S/C44H72N6O11SSi2/c1-28(2)35(46)39(53)49-24-31(57-25-30-18-15-14-16-19-30)22-32(49)37(51)47-20-17-21-48-38(52)29(3)23-50(41(48)54)40-36(60-64(12,13)43(7,8)9)44(33(45)27-62(55,56)61-44)34(59-40)26-58-63(10,11)42(4,5)6/h14-16,18-19,23,27-28,31-32,34-36,40H,17,20-22,24-26,45-46H2,1-13H3,(H,47,51)/t31-,32+,34?,35+,36?,40?,44?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase


J Med Chem 49: 5339-51 (2006)


Article DOI: 10.1021/jm0606490
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%