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Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'pokrovsky' and Initial = 'ag'   
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)
BDBM50110796
PNG
((4-(6-amino-9H-purin-9-yl)cyclopent-2-enyloxy)meth...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1 |c:29|
Show InChI InChI=1S/C11H16N5O10P3/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-2-8(3-7)24-6-27(17,18)25-29(22,23)26-28(19,20)21/h1-2,4-5,7-8H,3,6H2,(H,17,18)(H,22,23)(H2,12,13,14)(H2,19,20,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 200n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110797
PNG
(9-[4-(Diphosphoryloxyphosphonylmethoxy)-cyclopent-...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1 |c:30|
Show InChI InChI=1S/C11H16N5O11P3/c12-11-14-9-8(10(17)15-11)13-4-16(9)6-1-2-7(3-6)25-5-28(18,19)26-30(23,24)27-29(20,21)22/h1-2,4,6-7H,3,5H2,(H,18,19)(H,23,24)(H2,20,21,22)(H3,12,14,15,17)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 300n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110801
PNG
(CHEMBL23361 | P,P'-Bis {[4-(guanine-9-yl)cyclopent...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c2nc(N)[nH]c3=O)C=C1 |c:38,54|
Show InChI InChI=1S/C22H28N10O15P4/c23-21-27-17-15(19(33)29-21)25-7-31(17)11-1-3-13(5-11)43-9-48(35,36)45-50(39,40)47-51(41,42)46-49(37,38)10-44-14-4-2-12(6-14)32-8-26-16-18(32)28-22(24)30-20(16)34/h1-4,7-8,11-14H,5-6,9-10H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H3,23,27,29,33)(H3,24,28,30,34)
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
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n/an/a 700n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110804
PNG
(CHEMBL23358 | P,P'-Bis {[4-(adenine-9-yl)cyclopent...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c(N)ncnc23)C=C1 |c:37,52|
Show InChI InChI=1S/C22H28N10O13P4/c23-19-17-21(27-7-25-19)31(9-29-17)13-1-3-15(5-13)41-11-46(33,34)43-48(37,38)45-49(39,40)44-47(35,36)12-42-16-4-2-14(6-16)32-10-30-18-20(24)26-8-28-22(18)32/h1-4,7-10,13-16H,5-6,11-12H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,23,25,27)(H2,24,26,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110800
PNG
(CHEMBL23886 | P,P'-Bis {[4-(guanine-9-yl)cyclopent...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c2nc(N)[nH]c3=O)C=C1 |c:34,50|
Show InChI InChI=1S/C22H27N10O12P3/c23-21-27-17-15(19(33)29-21)25-7-31(17)11-1-3-13(5-11)41-9-45(35,36)43-47(39,40)44-46(37,38)10-42-14-4-2-12(6-14)32-8-26-16-18(32)28-22(24)30-20(16)34/h1-4,7-8,11-14H,5-6,9-10H2,(H,35,36)(H,37,38)(H,39,40)(H3,23,27,29,33)(H3,24,28,30,34)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110798
PNG
(CHEMBL277903 | P,P'-Bis {[4-(adenine-9-yl)cyclopen...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c(N)ncnc23)C=C1 |c:33,48|
Show InChI InChI=1S/C22H27N10O10P3/c23-19-17-21(27-7-25-19)31(9-29-17)13-1-3-15(5-13)39-11-43(33,34)41-45(37,38)42-44(35,36)12-40-16-4-2-14(6-16)32-10-30-18-20(24)26-8-28-22(18)32/h1-4,7-10,13-16H,5-6,11-12H2,(H,33,34)(H,35,36)(H,37,38)(H2,23,25,27)(H2,24,26,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110799
PNG
(CHEMBL280273 | P,P'-Bis {[4-(guanine-9-yl)cyclopen...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)C(F)(F)P(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c2nc(N)[nH]c3=O)C=C1 |c:40,56|
Show InChI InChI=1S/C23H28F2N10O14P4/c24-23(25,52(42,43)48-50(38,39)9-46-13-3-1-11(5-13)34-7-28-15-17(34)30-21(26)32-19(15)36)53(44,45)49-51(40,41)10-47-14-4-2-12(6-14)35-8-29-16-18(35)31-22(27)33-20(16)37/h1-4,7-8,11-14H,5-6,9-10H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H3,26,30,32,36)(H3,27,31,33,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110795
PNG
(CHEMBL23428 | NA1 | P,P'-Bis {[4-(adenine-9-yl)cyc...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)C(F)(F)P(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c(N)ncnc23)C=C1 |c:39,54|
Show InChI InChI=1S/C23H28F2N10O12P4/c24-23(25,50(40,41)46-48(36,37)11-44-15-3-1-13(5-15)34-9-32-17-19(26)28-7-30-21(17)34)51(42,43)47-49(38,39)12-45-16-4-2-14(6-16)35-10-33-18-20(27)29-8-31-22(18)35/h1-4,7-10,13-16H,5-6,11-12H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,26,28,30)(H2,27,29,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110802
PNG
(9-[4-(Difluoromethyldiphosphonyl)oxyphosphonylmeth...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)C(F)(F)P(O)(O)=O)C=C1 |c:31|
Show InChI InChI=1S/C12H16F2N5O9P3/c13-12(14,30(22,23)24)31(25,26)28-29(20,21)6-27-8-2-1-7(3-8)19-5-18-9-10(15)16-4-17-11(9)19/h1-2,4-5,7-8H,3,6H2,(H,20,21)(H,25,26)(H2,15,16,17)(H2,22,23,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110793
PNG
(9-[4-(Difluoromethyldiphosphonyl)oxyphosphonylmeth...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)C(F)(F)P(O)(O)=O)C=C1 |c:32|
Show InChI InChI=1S/C12H16F2N5O10P3/c13-12(14,31(23,24)25)32(26,27)29-30(21,22)5-28-7-2-1-6(3-7)19-4-16-8-9(19)17-11(15)18-10(8)20/h1-2,4,6-7H,3,5H2,(H,21,22)(H,26,27)(H2,23,24,25)(H3,15,17,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110794
PNG
(9-[4-(Dibromomethyldiphosphonyl)oxyphosphonylmetho...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)C=C1 |c:32|
Show InChI InChI=1S/C12H16Br2N5O10P3/c13-12(14,31(23,24)25)32(26,27)29-30(21,22)5-28-7-2-1-6(3-7)19-4-16-8-9(19)17-11(15)18-10(8)20/h1-2,4,6-7H,3,5H2,(H,21,22)(H,26,27)(H2,23,24,25)(H3,15,17,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110792
PNG
(CHEMBL24006 | NA2 | P,P'-Bis {[4-(ade nine-9-yl)cy...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c(N)ncnc23)C=C1 |c:39,54|
Show InChI InChI=1S/C23H28Br2N10O12P4/c24-23(25,50(40,41)46-48(36,37)11-44-15-3-1-13(5-15)34-9-32-17-19(26)28-7-30-21(17)34)51(42,43)47-49(38,39)12-45-16-4-2-14(6-16)35-10-33-18-20(27)29-8-31-22(18)35/h1-4,7-10,13-16H,5-6,11-12H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,26,28,30)(H2,27,29,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110791
PNG
(CHEMBL23522 | P,P'-Bis {[4-(guanine-9-yl)cyclopent...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OCP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(=O)OP(O)(=O)COC2CC(C=C2)n2cnc3c2nc(N)[nH]c3=O)C=C1 |c:40,56|
Show InChI InChI=1S/C23H28Br2N10O14P4/c24-23(25,52(42,43)48-50(38,39)9-46-13-3-1-11(5-13)34-7-28-15-17(34)30-21(26)32-19(15)36)53(44,45)49-51(40,41)10-47-14-4-2-12(6-14)35-8-29-16-18(35)31-22(27)33-20(16)37/h1-4,7-8,11-14H,5-6,9-10H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H3,26,30,32,36)(H3,27,31,33,37)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50110803
PNG
((4-(6-amino-9H-purin-9-yl)cyclopent-2-enyloxy)meth...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)C=C1 |c:31|
Show InChI InChI=1S/C12H16Br2N5O9P3/c13-12(14,30(22,23)24)31(25,26)28-29(20,21)6-27-8-2-1-7(3-8)19-5-18-9-10(15)16-4-17-11(9)19/h1-2,4-5,7-8H,3,6H2,(H,20,21)(H,25,26)(H2,15,16,17)(H2,22,23,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis by HIV reverse transcriptase


J Med Chem 45: 1284-91 (2002)


BindingDB Entry DOI: 10.7270/Q2PR7V9F
More data for this
Ligand-Target Pair