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PubMed code 1375962

Compile data set for download or QSAR
Found 9 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)		BDBM50002470
PNG
(AZTTP3'-azido-3'-deoxythymidine 5'-triphosphate)
Show SMILES Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H14N5O13P3/c1-4-3-14(9(16)11-7(4)15)6-2-5(12-13-10)8(24-6)25-29(20,21)27-30(22,23)26-28(17,18)19/h3,5-6,8H,2H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/p-4/t5-,6-,8-/m1/s1
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 3.60n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).

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


(Human immunodeficiency virus 1)		BDBM50002465
PNG
(AZTMPPNP3'-azidothymidine 5'-[alpha,beta-imido]tri...)
Show SMILES Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](OP([O-])(=O)OP([O-])(=O)NP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H15N6O12P3/c1-4-3-15(9(17)11-7(4)16)6-2-5(12-13-10)8(25-6)26-30(23,24)27-29(21,22)14-28(18,19)20/h3,5-6,8H,2H2,1H3,(H,23,24)(H,11,16,17)(H4,14,18,19,20,21,22)/p-4/t5-,6-,8-/m1/s1
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 87n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).

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


(Human immunodeficiency virus 1)		BDBM50002470
PNG
(AZTTP3'-azido-3'-deoxythymidine 5'-triphosphate)
Show SMILES Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H14N5O13P3/c1-4-3-14(9(16)11-7(4)15)6-2-5(12-13-10)8(24-6)25-29(20,21)27-30(22,23)26-28(17,18)19/h3,5-6,8H,2H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/p-4/t5-,6-,8-/m1/s1
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 130n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).

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


(Human immunodeficiency virus 1)		BDBM50002468
PNG
(TMPNPPthymidine 5'-[alpha,beta-imido]triphosphate)
Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@H](OP([O-])(=O)NP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H16N3O13P3/c1-4-3-12(9(15)10-7(4)14)6-2-5(13)8(23-6)24-26(16,17)11-27(18,19)25-28(20,21)22/h3,5-6,8,13H,2H2,1H3,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/p-4/t5-,6-,8-/m1/s1
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 2.40E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).

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


(Human immunodeficiency virus 1)		BDBM50002469
PNG
(ddTMPNPPDideoxythymidine 5'-[alpha,beta-imido]trip...)
Show SMILES Cc1cn([C@H]2CC[C@@H](OP([O-])(=O)NP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H16N3O12P3/c1-5-4-12(9(14)10-8(5)13)6-2-3-7(22-6)23-25(15,16)11-26(17,18)24-27(19,20)21/h4,6-7H,2-3H2,1H3,(H,10,13,14)(H2,19,20,21)(H3,11,15,16,17,18)/p-4/t6-,7-/m1/s1
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 1.50E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).

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


(Human immunodeficiency virus 1)		BDBM50002467
PNG
(TMPNPNPthymidine 5'-[alpha,beta:beta,alpha-diimido...)
Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@H](OP([O-])(=O)NP([O-])(=O)NP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H17N4O12P3/c1-4-3-13(9(16)10-7(4)15)6-2-5(14)8(24-6)25-28(22,23)12-26(17,18)11-27(19,20)21/h3,5-6,8,14H,2H2,1H3,(H,10,15,16)(H6,11,12,17,18,19,20,21,22,23)/p-4/t5-,6-,8-/m1/s1
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 1.91E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).

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


(Human immunodeficiency virus 1)		BDBM50002466
PNG
(AZTMPNPP3'-azido-3'-deoxythymidine 5'-[alpha,beta-...)
Show SMILES Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](OP([O-])(=O)NP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H15N6O12P3/c1-4-3-15(9(17)11-7(4)16)6-2-5(12-13-10)8(25-6)26-28(18,19)14-29(20,21)27-30(22,23)24/h3,5-6,8H,2H2,1H3,(H,11,16,17)(H2,22,23,24)(H3,14,18,19,20,21)/p-4/t5-,6-,8-/m1/s1
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 2.20E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).

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


(Human immunodeficiency virus 1)		BDBM50002465
PNG
(AZTMPPNP3'-azidothymidine 5'-[alpha,beta-imido]tri...)
Show SMILES Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](OP([O-])(=O)OP([O-])(=O)NP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H15N6O12P3/c1-4-3-15(9(17)11-7(4)16)6-2-5(12-13-10)8(25-6)26-30(23,24)27-29(21,22)14-28(18,19)20/h3,5-6,8H,2H2,1H3,(H,23,24)(H,11,16,17)(H4,14,18,19,20,21,22)/p-4/t5-,6-,8-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).

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


(Human immunodeficiency virus 1)		BDBM50002468
PNG
(TMPNPPthymidine 5'-[alpha,beta-imido]triphosphate)
Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@H](OP([O-])(=O)NP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H16N3O13P3/c1-4-3-12(9(15)10-7(4)14)6-2-5(13)8(23-6)24-26(16,17)11-27(18,19)25-28(20,21)22/h3,5-6,8,13H,2H2,1H3,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/p-4/t5-,6-,8-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).

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