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PubMed code 7996541

Compile data set for download or QSAR
Found 12 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)
BDBM50407262
PNG
(CHEMBL135672)
Show SMILES CC1(Br)C(N=[N+]=[N-])N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O
Show InChI InChI=1S/C10H13BrN8O4/c1-10(11)7(16-18-13)19(9(22)14-8(10)21)6-2-4(15-17-12)5(3-20)23-6/h4-7,20H,2-3H2,1H3,(H,14,21,22)/t4-,5+,6+,7?,10?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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



University of Alberta

Curated by ChEMBL


Assay Description
Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls


J Med Chem 37: 4297-306 (1995)

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


(Human immunodeficiency virus 1)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/an/an/a 3n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls


J Med Chem 37: 4297-306 (1995)

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


(Human immunodeficiency virus 1)
BDBM50407263
PNG
(CHEMBL137765)
Show SMILES CCCCCCCCO[C@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@]1(C)Br
Show InChI InChI=1S/C18H30BrN5O5/c1-3-4-5-6-7-8-9-28-16-18(2,19)15(26)21-17(27)24(16)14-10-12(22-23-20)13(11-25)29-14/h12-14,16,25H,3-11H2,1-2H3,(H,21,26,27)/t12?,13?,14?,16-,18+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 865n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls


J Med Chem 37: 4297-306 (1995)

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


(Human immunodeficiency virus 1)
BDBM50407265
PNG
(CHEMBL334551)
Show SMILES CO[C@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@]1(C)Br
Show InChI InChI=1S/C11H16BrN5O5/c1-11(12)8(19)14-10(20)17(9(11)21-2)7-3-5(15-16-13)6(4-18)22-7/h5-7,9,18H,3-4H2,1-2H3,(H,14,19,20)/t5?,6?,7?,9-,11+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 3.27n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls


J Med Chem 37: 4297-306 (1995)

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


(Human immunodeficiency virus 1)
BDBM50407260
PNG
(CHEMBL135203)
Show SMILES CC1(Cl)C(N=[N+]=[N-])N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O
Show InChI InChI=1S/C10H13ClN8O4/c1-10(11)7(16-18-13)19(9(22)14-8(10)21)6-2-4(15-17-12)5(3-20)23-6/h4-7,20H,2-3H2,1H3,(H,14,21,22)/t4-,5+,6+,7?,10?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 1.49E+3n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls


J Med Chem 37: 4297-306 (1995)

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


(Human immunodeficiency virus 1)
BDBM50407269
PNG
(CHEMBL138540)
Show SMILES CC(C)O[C@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@]1(C)Br
Show InChI InChI=1S/C13H20BrN5O5/c1-6(2)23-11-13(3,14)10(21)16-12(22)19(11)9-4-7(17-18-15)8(5-20)24-9/h6-9,11,20H,4-5H2,1-3H3,(H,16,21,22)/t7?,8?,9?,11-,13+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 5.72E+3n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls


J Med Chem 37: 4297-306 (1995)

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


(Human immunodeficiency virus 1)
BDBM50407266
PNG
(CHEMBL137294)
Show SMILES CCO[C@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@]1(C)Br
Show InChI InChI=1S/C12H18BrN5O5/c1-3-22-10-12(2,13)9(20)15-11(21)18(10)8-4-6(16-17-14)7(5-19)23-8/h6-8,10,19H,3-5H2,1-2H3,(H,15,20,21)/t6?,7?,8?,10-,12+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 6.75n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls


J Med Chem 37: 4297-306 (1995)

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


(Human immunodeficiency virus 1)
BDBM50407268
PNG
(CHEMBL136976)
Show SMILES CO[C@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@]1(C)I
Show InChI InChI=1S/C11H16IN5O5/c1-11(12)8(19)14-10(20)17(9(11)21-2)7-3-5(15-16-13)6(4-18)22-7/h5-7,9,18H,3-4H2,1-2H3,(H,14,19,20)/t5?,6?,7?,9-,11+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 3.17n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls


J Med Chem 37: 4297-306 (1995)

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


(Human immunodeficiency virus 1)
BDBM50407259
PNG
(CHEMBL342041)
Show SMILES CO[C@@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@@]1(C)Br
Show InChI InChI=1S/C11H16BrN5O5/c1-11(12)8(19)14-10(20)17(9(11)21-2)7-3-5(15-16-13)6(4-18)22-7/h5-7,9,18H,3-4H2,1-2H3,(H,14,19,20)/t5?,6?,7?,9-,11+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 280n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls


J Med Chem 37: 4297-306 (1995)

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


(Human immunodeficiency virus 1)
BDBM50407261
PNG
(CHEMBL137575)
Show SMILES CO[C@@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@@]1(C)I
Show InChI InChI=1S/C11H16IN5O5/c1-11(12)8(19)14-10(20)17(9(11)21-2)7-3-5(15-16-13)6(4-18)22-7/h5-7,9,18H,3-4H2,1-2H3,(H,14,19,20)/t5?,6?,7?,9-,11+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 5.15n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls


J Med Chem 37: 4297-306 (1995)

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


(Human immunodeficiency virus 1)
BDBM50407264
PNG
(CHEMBL334917)
Show SMILES CO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)C1(C)Cl
Show InChI InChI=1S/C11H16ClN5O5/c1-11(12)8(19)14-10(20)17(9(11)21-2)7-3-5(15-16-13)6(4-18)22-7/h5-7,9,18H,3-4H2,1-2H3,(H,14,19,20)/t5-,6+,7+,9+,11?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 5.79E+3n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls


J Med Chem 37: 4297-306 (1995)

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


(Human immunodeficiency virus 1)
BDBM50407267
PNG
(CHEMBL132707)
Show SMILES CCO[C@@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@@]1(C)Br
Show InChI InChI=1S/C12H18BrN5O5/c1-3-22-10-12(2,13)9(20)15-11(21)18(10)8-4-6(16-17-14)7(5-19)23-8/h6-8,10,19H,3-5H2,1-2H3,(H,15,20,21)/t6?,7?,8?,10-,12+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 23.7n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls


J Med Chem 37: 4297-306 (1995)

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