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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'burt' and Initial = 'sk'   
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)
BDBM50050632
PNG
(8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7,8,9-PENTAAZA-...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(OC)nc12
Show InChI InChI=1S/C17H17N5O/c1-4-21-15-12(6-5-9-18-15)16-19-10-11(2)22(16)13-7-8-14(23-3)20-17(13)21/h5-10H,4H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050628
PNG
(8-Ethyl-6-methoxy-8H-1,3a,7,8,9-pentaaza-dibenzo[e...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(OC)nc12
Show InChI InChI=1S/C16H15N5O/c1-3-20-14-11(5-4-8-17-14)15-18-9-10-21(15)12-6-7-13(22-2)19-16(12)20/h4-10H,3H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050640
PNG
(8-Ethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2cccnc12
Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(6-4-8-17-14)15-19-10-11(2)21(15)13-7-5-9-18-16(13)20/h4-10H,3H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.22E+3n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050633
PNG
(8-Ethyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2c(C)ccnc12
Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(5-4-7-17-14)15-19-9-10-21(15)13-11(2)6-8-18-16(13)20/h4-10H,3H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050636
PNG
(8-Cyclopropyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibe...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3-c3nccn3-c12
Show InChI InChI=1S/C17H15N5/c1-11-6-8-19-17-14(11)21-10-9-20-15(21)13-3-2-7-18-16(13)22(17)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.05E+3n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050634
PNG
((8-Ethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(nc12)N(C)C
Show InChI InChI=1S/C18H20N6/c1-5-23-16-13(7-6-10-19-16)17-20-11-12(2)24(17)14-8-9-15(22(3)4)21-18(14)23/h6-11H,5H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050635
PNG
(6-(3,6-Dihydro-2H-pyridin-1-yl)-8-ethyl-3-methyl-8...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(nc12)N1CCC=CC1 |c:28|
Show InChI InChI=1S/C21H22N6/c1-3-26-19-16(8-7-11-22-19)20-23-14-15(2)27(20)17-9-10-18(24-21(17)26)25-12-5-4-6-13-25/h4-5,7-11,14H,3,6,12-13H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050637
PNG
((8-Ethyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulen...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(nc12)N(C)C
Show InChI InChI=1S/C17H18N6/c1-4-22-15-12(6-5-9-18-15)16-19-10-11-23(16)13-7-8-14(21(2)3)20-17(13)22/h5-11H,4H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050639
PNG
(6-(3,6-Dihydro-2H-pyridin-1-yl)-8-ethyl-8H-1,3a,7,...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(nc12)N1CCC=CC1 |c:27|
Show InChI InChI=1S/C20H20N6/c1-2-25-18-15(7-6-10-21-18)19-22-11-14-26(19)16-8-9-17(23-20(16)25)24-12-4-3-5-13-24/h3-4,6-11,14H,2,5,12-13H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050631
PNG
(2,8-Diethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenz...)
Show SMILES CCN1c2ncccc2-c2nc(CC)c(C)n2-c2cccnc12
Show InChI InChI=1S/C18H19N5/c1-4-14-12(3)23-15-9-7-11-20-18(15)22(5-2)16-13(17(23)21-14)8-6-10-19-16/h6-11H,4-5H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.63E+3n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 6.44E+3n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1517
PNG
(2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)
Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.03E+4n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050638
PNG
(8-Ethyl-2-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...)
Show SMILES CCN1c2ncccc2-c2nc(C)cn2-c2cccnc12
Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(6-4-8-17-14)15-19-11(2)10-21(15)13-7-5-9-18-16(13)20/h4-10H,3H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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PC sid
UniChem
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PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050630
PNG
(8-Cyclopropyl-3-methyl-8H-1,2,3a,7,8,9-hexaaza-dib...)
Show SMILES Cc1nnc2-c3cccnc3N(C3CC3)c3ncccc3-n12
Show InChI InChI=1S/C16H14N6/c1-10-19-20-15-12-4-2-8-17-14(12)22(11-6-7-11)16-13(21(10)15)5-3-9-18-16/h2-5,8-9,11H,6-7H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
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PubMed
n/an/a 1.15E+4n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050629
PNG
(8-Ethyl-3,4-dimethyl-7H,8H-1,3a,7,8,9-pentaaza-dib...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2c(C)cc(=O)[nH]c12
Show InChI InChI=1S/C17H17N5O/c1-4-21-15-12(6-5-7-18-15)16-19-9-11(3)22(16)14-10(2)8-13(23)20-17(14)21/h5-9H,4H2,1-3H3,(H,20,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
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PubMed
n/an/a 1.22E+4n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair