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PubMed code 7540209

Compile data set for download or QSAR
Found 11 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)
BDBM50030550
PNG
(4-(2-Ethoxy-ethoxymethyl)-10,11-dihydro-4H-5-thia-...)
Show SMILES CCOCCOCn1c2Sc3ccccc3NCc2c(=O)[nH]c1=O
Show InChI InChI=1S/C16H19N3O4S/c1-2-22-7-8-23-10-19-15-11(14(20)18-16(19)21)9-17-12-5-3-4-6-13(12)24-15/h3-6,17H,2,7-10H2,1H3,(H,18,20,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 640n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase


J Med Chem 38: 2145-51 (1995)

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


(Human immunodeficiency virus 1)
BDBM50030544
PNG
(Acetic acid 2-(1,3-dioxo-2,3,10,11-tetrahydro-1H-5...)
Show SMILES CC(=O)OCCOCn1c2Sc3ccccc3NCc2c(=O)[nH]c1=O
Show InChI InChI=1S/C16H17N3O5S/c1-10(20)24-7-6-23-9-19-15-11(14(21)18-16(19)22)8-17-12-4-2-3-5-13(12)25-15/h2-5,17H,6-9H2,1H3,(H,18,21,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.15E+4n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase


J Med Chem 38: 2145-51 (1995)

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


(Human immunodeficiency virus 1)
BDBM50030549
PNG
(Acetic acid 2-(10-methyl-1,3-dioxo-2,3,10,11-tetra...)
Show SMILES CN1Cc2c(Sc3ccccc13)n(COCCOC(C)=O)c(=O)[nH]c2=O
Show InChI InChI=1S/C17H19N3O5S/c1-11(21)25-8-7-24-10-20-16-12(15(22)18-17(20)23)9-19(2)13-5-3-4-6-14(13)26-16/h3-6H,7-10H2,1-2H3,(H,18,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.47E+4n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase


J Med Chem 38: 2145-51 (1995)

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


(Human immunodeficiency virus 1)
BDBM50030545
PNG
(4-Ethoxymethyl-10,11-dihydro-4H-5-thia-2,4,10-tria...)
Show SMILES CCOCn1c2Sc3ccccc3NCc2c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15N3O3S/c1-2-20-8-17-13-9(12(18)16-14(17)19)7-15-10-5-3-4-6-11(10)21-13/h3-6,15H,2,7-8H2,1H3,(H,16,18,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.02E+4n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase


J Med Chem 38: 2145-51 (1995)

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


(Human immunodeficiency virus 1)
BDBM50030552
PNG
(Acetic acid 2-(1,3-dioxo-11-phenyl-2,3,10,11-tetra...)
Show SMILES CC(=O)OCCOCn1c2Sc3ccccc3NC(c3ccccc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C22H21N3O5S/c1-14(26)30-12-11-29-13-25-21-18(20(27)24-22(25)28)19(15-7-3-2-4-8-15)23-16-9-5-6-10-17(16)31-21/h2-10,19,23H,11-13H2,1H3,(H,24,27,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase


J Med Chem 38: 2145-51 (1995)

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


(Human immunodeficiency virus 1)
BDBM50030547
PNG
(10,11-Dihydro-4H-5-thia-2,4,10-triaza-dibenzo[a,d]...)
Show SMILES O=c1[nH]c2Sc3ccccc3NCc2c(=O)[nH]1
Show InChI InChI=1S/C11H9N3O2S/c15-9-6-5-12-7-3-1-2-4-8(7)17-10(6)14-11(16)13-9/h1-4,12H,5H2,(H2,13,14,15,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase


J Med Chem 38: 2145-51 (1995)

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


(Human immunodeficiency virus 1)
BDBM50030551
PNG
(4-(2-Hydroxy-ethoxymethyl)-11-phenyl-10,11-dihydro...)
Show SMILES OCCOCn1c2Sc3ccccc3NC(c3ccccc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C20H19N3O4S/c24-10-11-27-12-23-19-16(18(25)22-20(23)26)17(13-6-2-1-3-7-13)21-14-8-4-5-9-15(14)28-19/h1-9,17,21,24H,10-12H2,(H,22,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase


J Med Chem 38: 2145-51 (1995)

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


(Human immunodeficiency virus 1)
BDBM50030543
PNG
(Acetic acid 2-(1,3,11-trioxo-2,3,10,11-tetrahydro-...)
Show SMILES CC(=O)OCCOCn1c2Sc3ccccc3NC(=O)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C16H15N3O6S/c1-9(20)25-7-6-24-8-19-15-12(14(22)18-16(19)23)13(21)17-10-4-2-3-5-11(10)26-15/h2-5H,6-8H2,1H3,(H,17,21)(H,18,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase


J Med Chem 38: 2145-51 (1995)

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


(Human immunodeficiency virus 1)
BDBM50030553
PNG
(4-(2-Hydroxy-ethoxymethyl)-10,11-dihydro-4H-5-thia...)
Show SMILES OCCOCn1c2Sc3ccccc3NCc2c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15N3O4S/c18-5-6-21-8-17-13-9(12(19)16-14(17)20)7-15-10-3-1-2-4-11(10)22-13/h1-4,15,18H,5-8H2,(H,16,19,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase


J Med Chem 38: 2145-51 (1995)

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


(Human immunodeficiency virus 1)
BDBM50030548
PNG
(4-(2-Hydroxy-ethoxymethyl)-11-(4-nitro-phenyl)-10,...)
Show SMILES OCCOCn1c2Sc3ccccc3NC(c3ccc(cc3)[N+]([O-])=O)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C20H18N4O6S/c25-9-10-30-11-23-19-16(18(26)22-20(23)27)17(12-5-7-13(8-6-12)24(28)29)21-14-3-1-2-4-15(14)31-19/h1-8,17,21,25H,9-11H2,(H,22,26,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase


J Med Chem 38: 2145-51 (1995)

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


(Human immunodeficiency virus 1)
BDBM50030546
PNG
(Acetic acid 2-(2-methyl-1,3-dioxo-2,3,10,11-tetrah...)
Show SMILES CC(=O)OCCOCn1c2Sc3ccccc3NCc2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H19N3O5S/c1-11(21)25-8-7-24-10-20-16-12(15(22)19(2)17(20)23)9-18-13-5-3-4-6-14(13)26-16/h3-6,18H,7-10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase


J Med Chem 38: 2145-51 (1995)

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