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PubMed code 12723951

Compile data set for download or QSAR
Found 7 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)
BDBM50127511
PNG
(4-hydroxy-2-(methoxymethyl)-5-(6-oxo-1-prop-2-ynyl...)
Show SMILES COC[C@H]1O[C@H](C(O)[C@H]1OP(C)([O-])=O)n1cnc2c1ncn(CC#C)c2=O
Show InChI InChI=1S/C15H19N4O7P/c1-4-5-18-7-17-13-10(14(18)21)16-8-19(13)15-11(20)12(26-27(3,22)23)9(25-15)6-24-2/h1,7-9,11-12,15,20H,5-6H2,2-3H3,(H,22,23)/p-1/t9-,11?,12+,15-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22.3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against reverse transcriptase (RT) in cell free RT.


J Med Chem 46: 1878-85 (2003)


Article DOI: 10.1021/jm0203276
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50127517
PNG
(O-[5-(1-allyl-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-m...)
Show SMILES COC[C@H]1O[C@H](C(OC)[C@H]1OP(C)([O-])=S)n1cnc2c1ncn(CC=C)c2=O
Show InChI InChI=1S/C16H23N4O6PS/c1-5-6-19-8-18-14-11(15(19)21)17-9-20(14)16-13(24-3)12(26-27(4,22)28)10(25-16)7-23-2/h5,8-10,12-13,16H,1,6-7H2,2-4H3,(H,22,28)/p-1/t10-,12+,13?,16-,27?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against reverse transcriptase (RT) in cell free RT.


J Med Chem 46: 1878-85 (2003)


Article DOI: 10.1021/jm0203276
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50127514
PNG
(4-methoxy-2-(methoxymethyl)-5-(6-oxo-1-prop-2-ynyl...)
Show SMILES COC[C@H]1O[C@H](C(OC)[C@H]1OP(C)([O-])=O)n1cnc2c1ncn(CC#C)c2=O
Show InChI InChI=1S/C16H21N4O7P/c1-5-6-19-8-18-14-11(15(19)21)17-9-20(14)16-13(25-3)12(27-28(4,22)23)10(26-16)7-24-2/h1,8-10,12-13,16H,6-7H2,2-4H3,(H,22,23)/p-1/t10-,12+,13?,16-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against reverse transcriptase (RT) in cell free RT.


J Med Chem 46: 1878-85 (2003)


Article DOI: 10.1021/jm0203276
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50127512
PNG
((2R,3S,5R)-4-methoxy-2-(methoxymethyl)-5-(1-propyl...)
Show SMILES CCCn1cnc2n(cnc2c1=S)[C@@H]1O[C@H](COC)[C@H](OP(C)([O-])=O)C1OC
Show InChI InChI=1S/C16H25N4O6PS/c1-5-6-19-8-18-14-11(16(19)28)17-9-20(14)15-13(24-3)12(26-27(4,21)22)10(25-15)7-23-2/h8-10,12-13,15H,5-7H2,1-4H3,(H,21,22)/p-1/t10-,12+,13?,15-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 820n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against reverse transcriptase (RT) in cell free RT.


J Med Chem 46: 1878-85 (2003)


Article DOI: 10.1021/jm0203276
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50127513
PNG
((2R,3S,5R)-4-methoxy-2-(methoxymethyl)-5-(6-oxo-1-...)
Show SMILES CCCn1cnc2n(cnc2c1=O)[C@@H]1O[C@H](COC)[C@H](OP(C)([O-])=O)C1OC
Show InChI InChI=1S/C16H25N4O7P/c1-5-6-19-8-18-14-11(15(19)21)17-9-20(14)16-13(25-3)12(27-28(4,22)23)10(26-16)7-24-2/h8-10,12-13,16H,5-7H2,1-4H3,(H,22,23)/p-1/t10-,12+,13?,16-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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



University of Utah

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against reverse transcriptase (RT) in cell free RT.


J Med Chem 46: 1878-85 (2003)


Article DOI: 10.1021/jm0203276
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50127515
PNG
(5-(1-allyl-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydr...)
Show SMILES COC[C@H]1O[C@H](C(O)[C@H]1OP(C)([O-])=O)n1cnc2c1ncn(CC=C)c2=O
Show InChI InChI=1S/C15H21N4O7P/c1-4-5-18-7-17-13-10(14(18)21)16-8-19(13)15-11(20)12(26-27(3,22)23)9(25-15)6-24-2/h4,7-9,11-12,15,20H,1,5-6H2,2-3H3,(H,22,23)/p-1/t9-,11?,12+,15-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against reverse transcriptase (RT) in cell free RT.


J Med Chem 46: 1878-85 (2003)


Article DOI: 10.1021/jm0203276
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50127516
PNG
(5-(1-allyl-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-meth...)
Show SMILES COC[C@H]1O[C@H](C(OC)[C@H]1OP(C)([O-])=O)n1cnc2c1ncn(CC=C)c2=O
Show InChI InChI=1S/C16H23N4O7P/c1-5-6-19-8-18-14-11(15(19)21)17-9-20(14)16-13(25-3)12(27-28(4,22)23)10(26-16)7-24-2/h5,8-10,12-13,16H,1,6-7H2,2-4H3,(H,22,23)/p-1/t10-,12+,13?,16-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.05E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against reverse transcriptase (RT) in cell free RT.


J Med Chem 46: 1878-85 (2003)


Article DOI: 10.1021/jm0203276
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%