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PubMed code 15974590

Compile data set for download or QSAR
Found 5 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)
BDBM50169065
PNG
(2-Methyl-5-nitro-1-[2-(phenyl-thiophen-2-yl-methox...)
Show SMILES Cc1ncc(n1CCOC(c1cccs1)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C17H17N3O3S/c1-13-18-12-16(20(21)22)19(13)9-10-23-17(15-8-5-11-24-15)14-6-3-2-4-7-14/h2-8,11-12,17H,9-10H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Universit£ di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required to inhibit HIV-1 reverse transcriptase activity (wild-type) enzyme


J Med Chem 48: 4378-88 (2005)


Article DOI: 10.1021/jm050273a
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50169066
PNG
(1-(2-Benzhydrylsulfanyl-ethyl)-2-methyl-5-nitro-1H...)
Show SMILES Cc1ncc(n1CCSC(c1ccccc1)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C19H19N3O2S/c1-15-20-14-18(22(23)24)21(15)12-13-25-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19H,12-13H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.30E+3n/an/an/an/a



Universit£ di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required to inhibit HIV-1 reverse transcriptase activity of wild-type enzyme


J Med Chem 48: 4378-88 (2005)


Article DOI: 10.1021/jm050273a
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

MMDB
PDB
Article
PubMed
n/an/an/an/a 4n/an/an/an/a



Universit£ di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required to inhibit HIV-1 reverse transcriptase activity (wild-type) by 50%


J Med Chem 48: 4378-88 (2005)


Article DOI: 10.1021/jm050273a
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50169063
PNG
(Benzhydryl-[2-(2-methyl-5-nitro-imidazol-1-yl)-eth...)
Show SMILES Cc1ncc(n1CCNC(c1ccccc1)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C19H20N4O2/c1-15-21-14-18(23(24)25)22(15)13-12-20-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19-20H,12-13H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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



Universit£ di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required to inhibit HIV-1 reverse transcriptase activity (wild-type) by 50%


J Med Chem 48: 4378-88 (2005)


Article DOI: 10.1021/jm050273a
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
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/an/a 250n/an/an/an/a



Universit£ di Roma La Sapienza

Curated by ChEMBL


Assay Description
Concentration required to inhibit HIV-1 reverse transcriptase activity (wild-type) by 50%


J Med Chem 48: 4378-88 (2005)


Article DOI: 10.1021/jm050273a
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%