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Compile Data Set for Download or QSAR

Found 295 hits with Last Name = 'harada' and Initial = 's'   
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)
BDBM50134782
PNG
(6-amino-9-[(Z)-(2-{[(1,2,3,3-tetrahydroxy-1,2,3-tr...)
Show SMILES Nc1ncnc2n(\C=C3\CC3COP(O)(=O)P(O)(=O)P(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N5O8P3/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-23-25(19,20)26(21,22)24(16,17)18/h2,4-5,7H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/b6-2-
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320n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase wild-type (RT wt)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
BindingDB Entry DOI: 10.7270/Q2D50NQB
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211727
PNG
(CHEMBL3974614)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc(cc1)-c1ccccc1
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485n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50164644
PNG
(2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|
Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
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500n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (RT M184V)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
BindingDB Entry DOI: 10.7270/Q2D50NQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50164644
PNG
(2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|
Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
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510n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase wild-type (RT wt)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
BindingDB Entry DOI: 10.7270/Q2D50NQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50164644
PNG
(2',3'-Dideoxyadenosine Triphosphate (Ddatp) | 2',3...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 |r|
Show InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (RT M184I)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
BindingDB Entry DOI: 10.7270/Q2D50NQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50134782
PNG
(6-amino-9-[(Z)-(2-{[(1,2,3,3-tetrahydroxy-1,2,3-tr...)
Show SMILES Nc1ncnc2n(\C=C3\CC3COP(O)(=O)P(O)(=O)P(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N5O8P3/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-23-25(19,20)26(21,22)24(16,17)18/h2,4-5,7H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/b6-2-
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1.70E+3n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (RT M184V)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
BindingDB Entry DOI: 10.7270/Q2D50NQB
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211940
PNG
(CHEMBL3966747)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1cc2ccccc2c2ccccc12
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2.07E+3n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50134782
PNG
(6-amino-9-[(Z)-(2-{[(1,2,3,3-tetrahydroxy-1,2,3-tr...)
Show SMILES Nc1ncnc2n(\C=C3\CC3COP(O)(=O)P(O)(=O)P(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N5O8P3/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-23-25(19,20)26(21,22)24(16,17)18/h2,4-5,7H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/b6-2-
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2.40E+3n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (RT M184I)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
BindingDB Entry DOI: 10.7270/Q2D50NQB
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211954
PNG
(CHEMBL3901542)
Show SMILES NCCO.Cc1ccc(CCc2c([nH]c(=O)[nH]c2=O)C(O)=O)cc1
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2.88E+3n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211709
PNG
(CHEMBL3926030)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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5.70E+3n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211702
PNG
(CHEMBL3962745)
Show SMILES NCCO.COc1ccc2ccc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)cc2c1
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6.65E+3n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211957
PNG
(CHEMBL3943890)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc(Oc2ccccc2)cc1
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8.30E+3n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211731
PNG
(CHEMBL3892598)
Show SMILES NCCO.CC(C)(C)c1ccc(CCc2c([nH]c(=O)[nH]c2=O)C(O)=O)cc1
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8.40E+3n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50134783
PNG
(6-amino-9-[(E)-(2-{[(1,2,3,3-tetrahydroxy-1,2,3-tr...)
Show SMILES Nc1ncnc2n(\C=C3/CC3COP(O)(=O)P(O)(=O)P(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N5O8P3/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-23-25(19,20)26(21,22)24(16,17)18/h2,4-5,7H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/b6-2+
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1.00E+4n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Reverse transcriptase wild-type (RT wt)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
BindingDB Entry DOI: 10.7270/Q2D50NQB
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211716
PNG
(CHEMBL3973700)
Show SMILES NCCO.COc1ccc2c(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)cccc2c1
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1.02E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211943
PNG
(CHEMBL3914213)
Show SMILES NCCO.COc1cccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12
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1.03E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211705
PNG
(CHEMBL3964957)
Show SMILES NCCO.COc1cccc2ccc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)cc12
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1.13E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211959
PNG
(CHEMBL3955099)
Show SMILES NCCO.COC(=O)c1cccc2cc(CCCCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12
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1.20E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211710
PNG
(CHEMBL3936361)
Show SMILES NCCO.COCOc1ccc2ccc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)cc2c1
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1.58E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211942
PNG
(CHEMBL3935254)
Show SMILES NCCO.COc1cc2ccccc2cc1CCc1c([nH]c(=O)[nH]c1=O)C(O)=O
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1.99E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50212058
PNG
(CHEMBL3928909)
Show SMILES NCCO.CN(C)C(=O)c1cccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12
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2.02E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211712
PNG
(CHEMBL3905364)
Show SMILES NCCO.COCOc1cc2ccccc2cc1CCc1c([nH]c(=O)[nH]c1=O)C(O)=O
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2.22E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211695
PNG
(CHEMBL3933268)
Show SMILES NCCO.COC(=O)c1cccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12
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2.22E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211939
PNG
(CHEMBL3984245)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc2ccccc2c1
PDB
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2.31E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211715
PNG
(CHEMBL3925700)
Show SMILES NCCO.COc1ccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc2c1
PDB
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2.31E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50212059
PNG
(CHEMBL3945267)
Show SMILES NCCO.COc1ccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)c(OC)cc2c1
PDB
MMDB

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2.39E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211714
PNG
(CHEMBL3938624)
Show SMILES NCCO.COC(=O)c1ccc2cc(CCCCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc2c1
PDB
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2.61E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211941
PNG
(CHEMBL3904389)
Show SMILES NCCO.COc1ccc2cccc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)c2c1
PDB
MMDB

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3.41E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50212056
PNG
(CHEMBL3960727)
Show SMILES NCCO.COC(=O)c1ccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc2c1
PDB
MMDB

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3.88E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211787
PNG
(CHEMBL3986776)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc(OC(F)(F)F)cc1
PDB
MMDB

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4.12E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50134783
PNG
(6-amino-9-[(E)-(2-{[(1,2,3,3-tetrahydroxy-1,2,3-tr...)
Show SMILES Nc1ncnc2n(\C=C3/CC3COP(O)(=O)P(O)(=O)P(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N5O8P3/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-23-25(19,20)26(21,22)24(16,17)18/h2,4-5,7H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/b6-2+
PDB
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5.20E+4n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (RT M184V)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
BindingDB Entry DOI: 10.7270/Q2D50NQB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50134783
PNG
(6-amino-9-[(E)-(2-{[(1,2,3,3-tetrahydroxy-1,2,3-tr...)
Show SMILES Nc1ncnc2n(\C=C3/CC3COP(O)(=O)P(O)(=O)P(O)(O)=O)cnc12
Show InChI InChI=1S/C10H14N5O8P3/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-23-25(19,20)26(21,22)24(16,17)18/h2,4-5,7H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/b6-2+
PDB
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7.10E+4n/an/an/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (RT M184I)


J Med Chem 46: 4799-802 (2003)


Article DOI: 10.1021/jm030048y
BindingDB Entry DOI: 10.7270/Q2D50NQB
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211947
PNG
(CHEMBL3901641)
Show SMILES NCCO.COC(=O)c1cccc(CCCCc2c([nH]c(=O)[nH]c2=O)C(O)=O)c1
PDB
MMDB

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7.35E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211697
PNG
(CHEMBL3981004)
Show SMILES NCCO.NCCO.OC(=O)c1cccc2cc(CCCCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12
PDB
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7.60E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211696
PNG
(CHEMBL3956130)
Show SMILES NCCO.COC(=O)c1ccccc1CCCCc1c([nH]c(=O)[nH]c1=O)C(O)=O
PDB
MMDB

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1.02E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211692
PNG
(CHEMBL3944370)
Show SMILES NCCO.NCCO.OC(=O)c1ccc(CCc2c([nH]c(=O)[nH]c2=O)C(O)=O)cc1
PDB
MMDB

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>1.25E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211694
PNG
(CHEMBL3917382)
Show SMILES NCCO.COCOc1ccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc2c1
PDB
MMDB

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1.39E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211745
PNG
(CHEMBL3899009)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1cccc(c1)C(F)(F)F
PDB
MMDB

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1.42E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211732
PNG
(CHEMBL3908056)
Show SMILES NCCO.Cc1cc(CCc2c([nH]c(=O)[nH]c2=O)C(O)=O)ccc1F
PDB
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1.47E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211707
PNG
(CHEMBL3947426)
Show SMILES NCCO.CNC(=O)c1cccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12
PDB
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1.49E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211701
PNG
(CHEMBL3976207)
Show SMILES NCCO.CC(C)(C)OC(=O)N1CCc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12
PDB
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1.95E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211948
PNG
(CHEMBL3929601)
Show SMILES NCCO.COC(=O)c1ccc(CCCCc2c([nH]c(=O)[nH]c2=O)C(O)=O)cc1
PDB
MMDB

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2.17E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211938
PNG
(CHEMBL3955618)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1cccc2ccccc12
PDB
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2.17E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211945
PNG
(CHEMBL3908653)
Show SMILES NCCO.CCNC(=O)c1ccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc2c1
PDB
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2.36E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211730
PNG
(CHEMBL3920594)
Show SMILES NCCO.CCc1ccc(CCc2c([nH]c(=O)[nH]c2=O)C(O)=O)cc1
PDB
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2.48E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211718
PNG
(CHEMBL3980064)
Show SMILES NCCO.COC(=O)c1ccccc1-n1cc(nn1)-c1c([nH]c(=O)[nH]c1=O)C(O)=O
PDB
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>2.50E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211720
PNG
(CHEMBL3942246)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc2cccc(NC(=O)c3ccccc3)c2c1
PDB
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2.62E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211950
PNG
(CHEMBL3891863)
Show SMILES NCCO.NCCCc1c([nH]c(=O)[nH]c1=O)C(O)=O
PDB
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>3.13E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211949
PNG
(CHEMBL3952177)
Show SMILES NCCO.CC(C)(C)OC(=O)NCCCc1c([nH]c(=O)[nH]c1=O)C(O)=O
PDB
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>3.13E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211724
PNG
(CHEMBL3960872)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCCNC(=O)c1ccccc1
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>3.13E+5n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
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