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PubMed code 25511999

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 protein


(Human immunodeficiency virus type 1 group M subtyp...)		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)
PDB

UniProtKB/TrEMBL

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MCE
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Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Shandong University



Assay Description
The HIV-1 RTwt inhibition assay was implemented using the template/primer hybrid poly(A)9oligo(dT)15, digoxigenin- and biotin-labeled nucleotides, an...

Chem Biol Drug Des 86: 333-43 (2015)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2XP73PR
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus type 1 group M subtyp...)		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

UniProtKB/TrEMBL

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CHEMBL
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MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



Shandong University



Assay Description
The HIV-1 RTwt inhibition assay was implemented using the template/primer hybrid poly(A)9oligo(dT)15, digoxigenin- and biotin-labeled nucleotides, an...

Chem Biol Drug Des 86: 333-43 (2015)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2XP73PR
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM163696
PNG
(4-(3-(3,5-Dimethylbenzoyl)pyridin-2-yloxy)benzonit...)
Show SMILES Cc1cc(C)cc(c1)C(=O)c1cccnc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C21H16N2O2/c1-14-10-15(2)12-17(11-14)20(24)19-4-3-9-23-21(19)25-18-7-5-16(13-22)6-8-18/h3-12H,1-2H3
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Shandong University



Assay Description
The HIV-1 RTwt inhibition assay was implemented using the template/primer hybrid poly(A)9oligo(dT)15, digoxigenin- and biotin-labeled nucleotides, an...

Chem Biol Drug Des 86: 333-43 (2015)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2XP73PR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%