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PubMed code 20869872

Compile data set for download or QSAR
Found 16 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)		BDBM50482918
PNG
(CHEMBL1270611)
Show SMILES NCc1ccc(cc1)-c1ccc(Cc2cc(=O)n(O)c3ncccc23)cc1
Show InChI InChI=1S/C22H19N3O2/c23-14-16-5-9-18(10-6-16)17-7-3-15(4-8-17)12-19-13-21(26)25(27)22-20(19)2-1-11-24-22/h1-11,13,27H,12,14,23H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC sid
UniChem
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase RNasH activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482921
PNG
(CHEMBL1270511)
Show SMILES NCc1ccc(cc1)-c1cccc(Cc2cc(=O)n(O)c3ncccc23)c1
Show InChI InChI=1S/C22H19N3O2/c23-14-15-6-8-17(9-7-15)18-4-1-3-16(11-18)12-19-13-21(26)25(27)22-20(19)5-2-10-24-22/h1-11,13,27H,12,14,23H2
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UniChem
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n/an/a 100n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase RNasH activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482925
PNG
(CHEMBL1269455)
Show SMILES CCOC(=O)c1c(O)c2cccnc2n(O)c1=O
Show InChI InChI=1S/C11H10N2O5/c1-2-18-11(16)7-8(14)6-4-3-5-12-9(6)13(17)10(7)15/h3-5,14,17H,2H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase RNasH activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482919
PNG
(CHEMBL1270510)
Show SMILES NCc1ccc(cc1)-c1cccc(c1)-c1cc(=O)n(O)c2ncccc12
Show InChI InChI=1S/C21H17N3O2/c22-13-14-6-8-15(9-7-14)16-3-1-4-17(11-16)19-12-20(25)24(26)21-18(19)5-2-10-23-21/h1-12,26H,13,22H2
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n/an/a 130n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase RNasH activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482920
PNG
(CHEMBL1270417)
Show SMILES NCc1cccc(c1)-c1cccc(c1)-c1cc(=O)n(O)c2ncccc12
Show InChI InChI=1S/C21H17N3O2/c22-13-14-4-1-5-15(10-14)16-6-2-7-17(11-16)19-12-20(25)24(26)21-18(19)8-3-9-23-21/h1-12,26H,13,22H2
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n/an/a 150n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase RNasH activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482922
PNG
(CHEMBL1270317)
Show SMILES On1c2ncccc2c(cc1=O)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2/c23-19-13-18(17-10-5-11-21-20(17)22(19)24)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13,24H
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PubMed
n/an/a 640n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase RNasH activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482924
PNG
(CHEMBL1270416)
Show SMILES NCc1ccccc1-c1cccc(c1)-c1cc(=O)n(O)c2ncccc12
Show InChI InChI=1S/C21H17N3O2/c22-13-16-5-1-2-8-17(16)14-6-3-7-15(11-14)19-12-20(25)24(26)21-18(19)9-4-10-23-21/h1-12,26H,13,22H2
PDB
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UniProtKB/TrEMBL

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UniChem
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n/an/a 670n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase RNasH activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM33410
PNG
(CHEMBL16755 | N-hydroxyisoquinolinedione, 2)
Show SMILES ON1C(=O)Cc2ccccc2C1=O
Show InChI InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2
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Similars
Article
PubMed
n/an/a 860n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase RNasH activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50482923
PNG
(CHEMBL1269478)
Show SMILES On1c2ncccc2ccc1=O
Show InChI InChI=1S/C8H6N2O2/c11-7-4-3-6-2-1-5-9-8(6)10(7)12/h1-5,12H
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase RNasH activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50482922
PNG
(CHEMBL1270317)
Show SMILES On1c2ncccc2c(cc1=O)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2/c23-19-13-18(17-10-5-11-21-20(17)22(19)24)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13,24H
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50482919
PNG
(CHEMBL1270510)
Show SMILES NCc1ccc(cc1)-c1cccc(c1)-c1cc(=O)n(O)c2ncccc12
Show InChI InChI=1S/C21H17N3O2/c22-13-14-6-8-15(9-7-14)16-3-1-4-17(11-16)19-12-20(25)24(26)21-18(19)5-2-10-23-21/h1-12,26H,13,22H2
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Article
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n/an/a 7.80E+3n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50482921
PNG
(CHEMBL1270511)
Show SMILES NCc1ccc(cc1)-c1cccc(Cc2cc(=O)n(O)c3ncccc23)c1
Show InChI InChI=1S/C22H19N3O2/c23-14-15-6-8-17(9-7-15)18-4-1-3-16(11-18)12-19-13-21(26)25(27)22-20(19)5-2-10-24-22/h1-11,13,27H,12,14,23H2
PDB

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n/an/a 8.10E+3n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50482920
PNG
(CHEMBL1270417)
Show SMILES NCc1cccc(c1)-c1cccc(c1)-c1cc(=O)n(O)c2ncccc12
Show InChI InChI=1S/C21H17N3O2/c22-13-14-4-1-5-15(10-14)16-6-2-7-17(11-16)19-12-20(25)24(26)21-18(19)8-3-9-23-21/h1-12,26H,13,22H2
PDB

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PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50482923
PNG
(CHEMBL1269478)
Show SMILES On1c2ncccc2ccc1=O
Show InChI InChI=1S/C8H6N2O2/c11-7-4-3-6-2-1-5-9-8(6)10(7)12/h1-5,12H
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50482924
PNG
(CHEMBL1270416)
Show SMILES NCc1ccccc1-c1cccc(c1)-c1cc(=O)n(O)c2ncccc12
Show InChI InChI=1S/C21H17N3O2/c22-13-16-5-1-2-8-17(16)14-6-3-7-15(11-14)19-12-20(25)24(26)21-18(19)9-4-10-23-21/h1-12,26H,13,22H2
PDB

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n/an/a 1.80E+4n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50482918
PNG
(CHEMBL1270611)
Show SMILES NCc1ccc(cc1)-c1ccc(Cc2cc(=O)n(O)c3ncccc23)cc1
Show InChI InChI=1S/C22H19N3O2/c23-14-16-5-9-18(10-6-16)17-7-3-15(4-8-17)12-19-13-21(26)25(27)22-20(19)2-1-11-24-22/h1-11,13,27H,12,14,23H2
PDB

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n/an/a 2.40E+4n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity

Bioorg Med Chem Lett 20: 6754-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.135
BindingDB Entry DOI: 10.7270/Q21N8405
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%