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PubMed code 25626145

Compile data set for download or QSAR
Found 3 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
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-labeled dUTP incorporation into DNA after 1 hr using poly(A) x oligo(dT)15 t...


Eur J Med Chem 92: 754-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.042
BindingDB Entry DOI: 10.7270/Q29P33B5
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50072912
PNG
(CHEMBL3410260)
Show SMILES Cc1cc(C)c(Oc2cc(NC3CCN(Cc4ccc(cc4)S(C)(=O)=O)CC3)nc3ncnn23)c(C)c1
Show InChI InChI=1S/C27H32N6O3S/c1-18-13-19(2)26(20(3)14-18)36-25-15-24(31-27-28-17-29-33(25)27)30-22-9-11-32(12-10-22)16-21-5-7-23(8-6-21)37(4,34)35/h5-8,13-15,17,22H,9-12,16H2,1-4H3,(H,28,29,30,31)
PDB
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UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-labeled dUTP incorporation into DNA after 1 hr using poly(A) x oligo(dT)15 t...


Eur J Med Chem 92: 754-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.042
BindingDB Entry DOI: 10.7270/Q29P33B5
More data for this
Ligand-Target Pair
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
GoogleScholar
AffyNet 
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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-labeled dUTP incorporation into DNA after 1 hr using poly(A) x oligo(dT)15 t...


Eur J Med Chem 92: 754-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.042
BindingDB Entry DOI: 10.7270/Q29P33B5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%