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PubMed code 10821705

Compile data set for download or QSAR
Found 27 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)
BDBM50408880
PNG
(CHEMBL58213)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)OC)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H26N2O4S/c1-5-16-18(24)21-20(25)22(9-7-6-8-17(23)26-4)19(16)27-15-11-13(2)10-14(3)12-15/h10-12H,5-9H2,1-4H3,(H,21,24,25)
PDB
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n/an/an/an/a 25n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408881
PNG
(CHEMBL418119)
Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CCCC(O)=O)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C22H28N2O4/c1-5-17-15(4)23-22(28)21(24-19(25)7-6-8-20(26)27)18(17)12-16-10-13(2)9-14(3)11-16/h9-11H,5-8,12H2,1-4H3,(H,23,28)(H,24,25)(H,26,27)
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n/an/an/an/a 4.50E+3n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408885
PNG
(CHEMBL57313)
Show SMILES COC(=O)CCCNC(=O)CCc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H24N6O7/c1-29-15(26)3-2-6-19-13(25)5-4-10-8-23(17(28)20-16(10)27)14-7-11(21-22-18)12(9-24)30-14/h8,11-12,14,24H,2-7,9H2,1H3,(H,19,25)(H,20,27,28)
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n/an/an/an/a>1.00E+5n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408887
PNG
(CHEMBL418294)
Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCC(O)=O)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C27H38N2O4/c1-5-22-20(4)28-27(33)26(23(22)17-21-15-18(2)14-19(3)16-21)29-24(30)12-10-8-6-7-9-11-13-25(31)32/h14-16H,5-13,17H2,1-4H3,(H,28,33)(H,29,30)(H,31,32)
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n/an/an/an/a 7.00E+4n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408888
PNG
(CHEMBL417227)
Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CNC(=O)CN)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C21H28N4O3/c1-5-16-14(4)24-21(28)20(25-19(27)11-23-18(26)10-22)17(16)9-15-7-12(2)6-13(3)8-15/h6-8H,5,9-11,22H2,1-4H3,(H,23,26)(H,24,28)(H,25,27)
PDB
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n/an/an/an/a 720n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408889
PNG
(CHEMBL57161)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCNC(=O)CCc2cn(C3CC(N=[N+]=[N-])C(CO)O3)c(=O)[nH]c2=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C35H47N9O8S/c1-4-25-32(49)40-34(50)43(33(25)53-24-16-21(2)15-22(3)17-24)14-8-5-9-28(46)37-12-6-7-13-38-29(47)11-10-23-19-44(35(51)39-31(23)48)30-18-26(41-42-36)27(20-45)52-30/h15-17,19,26-27,30,45H,4-14,18,20H2,1-3H3,(H,37,46)(H,38,47)(H,39,48,51)(H,40,49,50)
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n/an/an/an/a 3.30E+3n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408894
PNG
(CHEMBL292392)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCC(=O)NCCCCCCCCCCN)c1=O
Show InChI InChI=1S/C23H39N7O5/c1-17-15-30(21-14-18(27-28-25)19(16-31)35-21)23(34)29(22(17)33)13-10-20(32)26-12-9-7-5-3-2-4-6-8-11-24/h15,18-19,21,31H,2-14,16,24H2,1H3,(H,26,32)
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n/an/an/an/a 4.20E+4n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408899
PNG
(CHEMBL300607)
Show SMILES NCCCCNC(=O)CCc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H25N7O5/c17-5-1-2-6-19-13(25)4-3-10-8-23(16(27)20-15(10)26)14-7-11(21-22-18)12(9-24)28-14/h8,11-12,14,24H,1-7,9,17H2,(H,19,25)(H,20,26,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408891
PNG
(CHEMBL58891)
Show SMILES COC(=O)CCc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H17N5O6/c1-23-11(20)3-2-7-5-18(13(22)15-12(7)21)10-4-8(16-17-14)9(6-19)24-10/h5,8-10,19H,2-4,6H2,1H3,(H,15,21,22)
PDB
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n/an/an/an/a>1.00E+5n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408892
PNG
(CHEMBL418118)
Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCCNC(=O)OC(C)(C)C)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C32H49N3O4/c1-8-26-24(4)34-30(37)29(27(26)21-25-19-22(2)18-23(3)20-25)35-28(36)16-14-12-10-9-11-13-15-17-33-31(38)39-32(5,6)7/h18-20H,8-17,21H2,1-7H3,(H,33,38)(H,34,37)(H,35,36)
PDB
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n/an/an/an/a>1.00E+4n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408893
PNG
(CHEMBL58914)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCNC(=O)CCn2c(=O)c(C)cn(C3CC(N=[N+]=[N-])C(CO)O3)c2=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C42H61N9O8S/c1-5-32-38(55)46-41(57)50(40(32)60-31-23-28(2)22-29(3)24-31)20-15-12-16-35(53)44-18-13-10-8-6-7-9-11-14-19-45-36(54)17-21-49-39(56)30(4)26-51(42(49)58)37-25-33(47-48-43)34(27-52)59-37/h22-24,26,33-34,37,52H,5-21,25,27H2,1-4H3,(H,44,53)(H,45,54)(H,46,55,57)
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n/an/an/an/a 2.80E+3n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408896
PNG
(CHEMBL56328)
Show SMILES CCOC(=O)CCn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O
Show InChI InChI=1S/C15H21N5O6/c1-3-25-13(22)4-5-19-14(23)9(2)7-20(15(19)24)12-6-10(17-18-16)11(8-21)26-12/h7,10-12,21H,3-6,8H2,1-2H3
PDB
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n/an/an/an/a 800n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408902
PNG
(CHEMBL58653)
Show SMILES NCCCCCCCCCCNC(=O)CCc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H37N7O5/c23-11-7-5-3-1-2-4-6-8-12-25-19(31)10-9-16-14-29(22(33)26-21(16)32)20-13-17(27-28-24)18(15-30)34-20/h14,17-18,20,30H,1-13,15,23H2,(H,25,31)(H,26,32,33)
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n/an/an/an/a 2.00E+4n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408897
PNG
(CHEMBL262003)
Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CNC(=O)CNC(=O)CCCNC(=O)CCOCC2OC(CC2N=[N+]=[N-])n2cc(C)c(=O)[nH]c2=O)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C38H50N10O9/c1-6-26-24(5)43-37(54)35(27(26)15-25-13-21(2)12-22(3)14-25)44-33(52)18-42-32(51)17-41-30(49)8-7-10-40-31(50)9-11-56-20-29-28(46-47-39)16-34(57-29)48-19-23(4)36(53)45-38(48)55/h12-14,19,28-29,34H,6-11,15-18,20H2,1-5H3,(H,40,50)(H,41,49)(H,42,51)(H,43,54)(H,44,52)(H,45,53,55)
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n/an/an/an/a>1.00E+5n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM10905
PNG
(3-Amino-4-(3,5-dimethylbenzyl)-5-ethyl-6-methylpyr...)
Show SMILES CCc1c(C)[nH]c(=O)c(N)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C17H22N2O/c1-5-14-12(4)19-17(20)16(18)15(14)9-13-7-10(2)6-11(3)8-13/h6-8H,5,9,18H2,1-4H3,(H,19,20)
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n/an/an/an/a 17n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408900
PNG
(CHEMBL417953)
Show SMILES NCCCCCCCCCCCCNc1ccn(C2CCC(CO)O2)c(=O)n1
Show InChI InChI=1S/C21H38N4O3/c22-14-9-7-5-3-1-2-4-6-8-10-15-23-19-13-16-25(21(27)24-19)20-12-11-18(17-26)28-20/h13,16,18,20,26H,1-12,14-15,17,22H2,(H,23,24,27)
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n/an/an/an/a 7.80E+3n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408878
PNG
(CHEMBL57590)
Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CCCC(=O)NCCCCNC(=O)CCOCC2OC(CC2N=[N+]=[N-])n2cc(C)c(=O)[nH]c2=O)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C39H53N9O8/c1-6-28-26(5)43-38(53)36(29(28)19-27-17-23(2)16-24(3)18-27)44-34(51)11-9-10-32(49)41-13-7-8-14-42-33(50)12-15-55-22-31-30(46-47-40)20-35(56-31)48-21-25(4)37(52)45-39(48)54/h16-18,21,30-31,35H,6-15,19-20,22H2,1-5H3,(H,41,49)(H,42,50)(H,43,53)(H,44,51)(H,45,52,54)
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n/an/an/an/a 2.50E+4n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408882
PNG
(CHEMBL59514)
Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCCNC(=O)CCOCC2OC(CC2N=[N+]=[N-])n2cc(C)c(=O)[nH]c2=O)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C40H56N8O7/c1-6-30-28(5)43-39(52)37(31(30)21-29-19-25(2)18-26(3)20-29)44-35(50)14-12-10-8-7-9-11-13-16-42-34(49)15-17-54-24-33-32(46-47-41)22-36(55-33)48-23-27(4)38(51)45-40(48)53/h18-20,23,32-33,36H,6-17,21-22,24H2,1-5H3,(H,42,49)(H,43,52)(H,44,50)(H,45,51,53)
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n/an/an/an/a>1.00E+4n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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n/an/an/an/a 2n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408879
PNG
(CHEMBL20610)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCCCNc2ccn(C3CCC(CO)O3)c(=O)n2)c(=O)[nH]c1=O
Show InChI InChI=1S/C40H60N6O6S/c1-4-33-37(49)44-40(51)46(38(33)53-32-26-29(2)25-30(3)27-32)23-16-13-17-35(48)42-22-15-12-10-8-6-5-7-9-11-14-21-41-34-20-24-45(39(50)43-34)36-19-18-31(28-47)52-36/h20,24-27,31,36,47H,4-19,21-23,28H2,1-3H3,(H,42,48)(H,41,43,50)(H,44,49,51)
PDB
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n/an/an/an/a 430n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408884
PNG
(CHEMBL301685)
Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCC(=O)NCCCCNC(=O)CCOCC2OC(CC2N=[N+]=[N-])n2cc(C)c(=O)[nH]c2=O)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C44H63N9O8/c1-6-33-31(5)48-43(58)41(34(33)24-32-22-28(2)21-29(3)23-32)49-39(56)16-12-10-8-7-9-11-15-37(54)46-18-13-14-19-47-38(55)17-20-60-27-36-35(51-52-45)25-40(61-36)53-26-30(4)42(57)50-44(53)59/h21-23,26,35-36,40H,6-20,24-25,27H2,1-5H3,(H,46,54)(H,47,55)(H,48,58)(H,49,56)(H,50,57,59)
PDB
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n/an/an/an/a 3.30E+4n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408886
PNG
(CHEMBL57929)
Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCCN)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C27H41N3O2/c1-5-23-21(4)29-27(32)26(24(23)18-22-16-19(2)15-20(3)17-22)30-25(31)13-11-9-7-6-8-10-12-14-28/h15-17H,5-14,18,28H2,1-4H3,(H,29,32)(H,30,31)
PDB
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n/an/an/an/a 5.80E+4n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408890
PNG
(CHEMBL57301)
Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CCCC(=O)OC)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C23H30N2O4/c1-6-18-16(4)24-23(28)22(25-20(26)8-7-9-21(27)29-5)19(18)13-17-11-14(2)10-15(3)12-17/h10-12H,6-9,13H2,1-5H3,(H,24,28)(H,25,26)
PDB
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n/an/an/an/a 2.40E+4n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408895
PNG
(CHEMBL440482)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCNC(=O)CCc2cn(C3CC(N=[N+]=[N-])C(CO)O3)c(=O)[nH]c2=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C41H59N9O8S/c1-4-31-38(55)46-40(56)49(39(31)59-30-22-27(2)21-28(3)23-30)20-14-11-15-34(52)43-18-12-9-7-5-6-8-10-13-19-44-35(53)17-16-29-25-50(41(57)45-37(29)54)36-24-32(47-48-42)33(26-51)58-36/h21-23,25,32-33,36,51H,4-20,24,26H2,1-3H3,(H,43,52)(H,44,53)(H,45,54,57)(H,46,55,56)
PDB
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n/an/an/an/a 1.70E+3n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408901
PNG
(CHEMBL60873)
Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCC(=O)OC)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C28H40N2O4/c1-6-23-21(4)29-28(33)27(24(23)18-22-16-19(2)15-20(3)17-22)30-25(31)13-11-9-7-8-10-12-14-26(32)34-5/h15-17H,6-14,18H2,1-5H3,(H,29,33)(H,30,31)
PDB
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n/an/an/an/a>1.00E+4n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50145605
PNG
(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
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n/an/an/an/a 31n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408883
PNG
(CHEMBL58497)
Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C26H36N4O5/c1-8-19-17(4)29-24(33)23(20(19)12-18-10-15(2)9-16(3)11-18)30-22(32)14-27-21(31)13-28-25(34)35-26(5,6)7/h9-11H,8,12-14H2,1-7H3,(H,27,31)(H,28,34)(H,29,33)(H,30,32)
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n/an/an/an/a 3.20E+3n/an/an/an/a



UMR 176 CNRS/Institut Curie

Curated by ChEMBL


Assay Description
Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.


J Med Chem 43: 1927-39 (2000)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%