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Articleid 50029544

Compile data set for download or QSAR
Found 6 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)
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
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
n/an/a 84n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase(RT) was determined


Bioorg Med Chem Lett 5: 163-166 (1995)


Article DOI: 10.1016/0960-894X(94)00478-X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1518
PNG
(2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...)
Show SMILES CCN1c2ncccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(6-4-8-15-12)14(19)17(2)11-7-5-9-16-13(11)18/h4-9H,3H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
n/an/a 125n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase(RT) was determined


Bioorg Med Chem Lett 5: 163-166 (1995)


Article DOI: 10.1016/0960-894X(94)00478-X
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50285362
PNG
(5-Ethyl-11-methyl-5,11-dihydro-3,5,6,11-tetraaza-d...)
Show SMILES CCN1c2cnccc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C14H14N4O/c1-3-18-12-9-15-8-6-11(12)17(2)14(19)10-5-4-7-16-13(10)18/h4-9H,3H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase(RT) was determined


Bioorg Med Chem Lett 5: 163-166 (1995)


Article DOI: 10.1016/0960-894X(94)00478-X
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50285359
PNG
(5-Ethyl-11-methyl-5,11-dihydro-1,5,6,11-tetraaza-d...)
Show SMILES CCN1c2cccnc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C14H14N4O/c1-3-18-11-7-5-9-16-13(11)17(2)14(19)10-6-4-8-15-12(10)18/h4-9H,3H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase(RT) was determined


Bioorg Med Chem Lett 5: 163-166 (1995)


Article DOI: 10.1016/0960-894X(94)00478-X
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50285361
PNG
(5-Ethyl-11-methyl-5,11-dihydro-2,5,6,11-tetraaza-d...)
Show SMILES CCN1c2ccncc2N(C)C(=O)c2cccnc12
Show InChI InChI=1S/C14H14N4O/c1-3-18-11-6-8-15-9-12(11)17(2)14(19)10-5-4-7-16-13(10)18/h4-9H,3H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase(RT) was determined


Bioorg Med Chem Lett 5: 163-166 (1995)


Article DOI: 10.1016/0960-894X(94)00478-X
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50285360
PNG
(5-Ethyl-10-methyl-5,10-dihydro-3,5,6,10-tetraaza-d...)
Show SMILES CCN1c2cnccc2C(=O)N(C)c2cccnc12
Show InChI InChI=1S/C14H14N4O/c1-3-18-12-9-15-8-6-10(12)14(19)17(2)11-5-4-7-16-13(11)18/h4-9H,3H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 6.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase(RT) was determined


Bioorg Med Chem Lett 5: 163-166 (1995)


Article DOI: 10.1016/0960-894X(94)00478-X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%