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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'baszczy?ski' and Initial = 'o'   
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
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50438479
PNG
(CHEMBL2414636)
Show SMILES OC[C@H](CCP(O)(O)=O)NCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H17N4O5P/c16-5-8(1-2-21(18,19)20)12-3-7-4-13-10-9(7)14-6-15-11(10)17/h4,6,8,12-13,16H,1-3,5H2,(H,14,15,17)(H2,18,19,20)/t8-/m0/s1
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Article
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n/an/a 385n/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of human HGPRT by Morrison method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02184
BindingDB Entry DOI: 10.7270/Q26D5XRJ
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50438487
PNG
(CHEMBL2414703)
Show SMILES OP(O)(=O)CCCNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C10H15N4O4P/c15-10-9-8(13-6-14-10)7(5-12-9)4-11-2-1-3-19(16,17)18/h5-6,11-12H,1-4H2,(H,13,14,15)(H2,16,17,18)
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n/an/a 4.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of human HGPRT by Morrison method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02184
BindingDB Entry DOI: 10.7270/Q26D5XRJ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50501284
PNG
(CHEMBL3944697)
Show SMILES COc1cc(F)c(C(=O)c2ccnc(Nc3ccc(cc3)C#N)n2)c(F)c1
Show InChI InChI=1S/C19H12F2N4O2/c1-27-13-8-14(20)17(15(21)9-13)18(26)16-6-7-23-19(25-16)24-12-4-2-11(10-22)3-5-12/h2-9H,1H3,(H,23,24,25)
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n/an/an/an/a 347n/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 3B reverse transcriptase K103N mutant infected in human MT4 cells assessed as inhibition of viral replication after 5 days by cel...


Eur J Med Chem 122: 185-195 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.026
BindingDB Entry DOI: 10.7270/Q2NC647C
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50501284
PNG
(CHEMBL3944697)
Show SMILES COc1cc(F)c(C(=O)c2ccnc(Nc3ccc(cc3)C#N)n2)c(F)c1
Show InChI InChI=1S/C19H12F2N4O2/c1-27-13-8-14(20)17(15(21)9-13)18(26)16-6-7-23-19(25-16)24-12-4-2-11(10-22)3-5-12/h2-9H,1H3,(H,23,24,25)
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n/an/an/an/a>500n/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of reverse transcriptase Y181C mutant in HIV-1 3B infected in human MT4 cells assessed as inhibition of viral replication after 5 days by ...


Eur J Med Chem 122: 185-195 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.026
BindingDB Entry DOI: 10.7270/Q2NC647C
More data for this
Ligand-Target Pair
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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n/an/an/an/a 12n/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of reverse transcriptase Y181C mutant in HIV-1 3B infected in human MT4 cells assessed as inhibition of viral replication after 5 days by ...


Eur J Med Chem 122: 185-195 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.026
BindingDB Entry DOI: 10.7270/Q2NC647C
More data for this
Ligand-Target Pair
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/an/an/a 2n/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 3B reverse transcriptase K103N mutant infected in human MT4 cells assessed as inhibition of viral replication after 5 days by cel...


Eur J Med Chem 122: 185-195 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.026
BindingDB Entry DOI: 10.7270/Q2NC647C
More data for this
Ligand-Target Pair
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
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PubMed
n/an/an/an/a 5n/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of reverse transcriptase Y181C mutant in HIV-1 3B infected in human MT4 cells assessed as inhibition of viral replication after 5 days by ...


Eur J Med Chem 122: 185-195 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.026
BindingDB Entry DOI: 10.7270/Q2NC647C
More data for this
Ligand-Target Pair
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
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Article
PubMed
n/an/an/an/a 101n/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 3B reverse transcriptase K103N mutant infected in human MT4 cells assessed as inhibition of viral replication after 5 days by cel...


Eur J Med Chem 122: 185-195 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.026
BindingDB Entry DOI: 10.7270/Q2NC647C
More data for this
Ligand-Target Pair