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Compile Data Set for Download or QSAR

Found 815 hits with Last Name = 'naz' and Initial = 'f'   
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
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642916
PNG
(US11859014, Compound 11)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O |r|
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM50273966
PNG
(CHEMBL4129318 | US11859014, Compound 19)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O |r|
Show InChI InChI=1S/C35H42N4O6/c1-23(2)18-30(33(42)37-28(21-40)19-27-15-9-17-36-32(27)41)38-34(43)31(39-35(44)45-22-24-10-4-3-5-11-24)20-26-14-8-13-25-12-6-7-16-29(25)26/h3-8,10-14,16,21,23,27-28,30-31H,9,15,17-20,22H2,1-2H3,(H,36,41)(H,37,42)(H,38,43)(H,39,44)/t27-,28-,30-,31-/m0/s1
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642927
PNG
(US11859014, Compound 83)
Show SMILES O=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1 |r|
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642919
PNG
(US11859014, Compound 29)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cnccn1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642916
PNG
(US11859014, Compound 11)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O |r|
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642920
PNG
(US11859014, Compound 35)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O |r|
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642918
PNG
(US11859014, Compound 23)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cnccn1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O |r|
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642919
PNG
(US11859014, Compound 29)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cnccn1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642920
PNG
(US11859014, Compound 35)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O |r|
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM50273966
PNG
(CHEMBL4129318 | US11859014, Compound 19)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O |r|
Show InChI InChI=1S/C35H42N4O6/c1-23(2)18-30(33(42)37-28(21-40)19-27-15-9-17-36-32(27)41)38-34(43)31(39-35(44)45-22-24-10-4-3-5-11-24)20-26-14-8-13-25-12-6-7-16-29(25)26/h3-8,10-14,16,21,23,27-28,30-31H,9,15,17-20,22H2,1-2H3,(H,36,41)(H,37,42)(H,38,43)(H,39,44)/t27-,28-,30-,31-/m0/s1
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642918
PNG
(US11859014, Compound 23)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cnccn1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O |r|
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 1.59E+3n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM222139
PNG
(Chymostatin | US11859014, Compound chymostatin)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCN=C(N)N1)C(=O)N[C@@H](Cc1ccccc1)C=O |t:28|
Show InChI InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23?,24-,25-,26-/m0/s1
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM50273979
PNG
(CHEMBL4128616 | US11859014, Compound 36)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)\C=C(/C#N)C(N)=O |r|
Show InChI InChI=1S/C38H44N6O6/c1-24(2)18-32(36(47)42-30(20-29(22-39)34(40)45)19-28-15-9-17-41-35(28)46)43-37(48)33(44-38(49)50-23-25-10-4-3-5-11-25)21-27-14-8-13-26-12-6-7-16-31(26)27/h3-8,10-14,16,20,24,28,30,32-33H,9,15,17-19,21,23H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)(H,43,48)(H,44,49)/b29-20+/t28-,30-,32-,33-/m0/s1
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642922
PNG
(US11859014, Compound 37)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(O)S([O-])(=O)=O |r|
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM50273979
PNG
(CHEMBL4128616 | US11859014, Compound 36)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)\C=C(/C#N)C(N)=O |r|
Show InChI InChI=1S/C38H44N6O6/c1-24(2)18-32(36(47)42-30(20-29(22-39)34(40)45)19-28-15-9-17-41-35(28)46)43-37(48)33(44-38(49)50-23-25-10-4-3-5-11-25)21-27-14-8-13-26-12-6-7-16-31(26)27/h3-8,10-14,16,20,24,28,30,32-33H,9,15,17-19,21,23H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)(H,43,48)(H,44,49)/b29-20+/t28-,30-,32-,33-/m0/s1
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642927
PNG
(US11859014, Compound 83)
Show SMILES O=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1 |r|
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Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM11243
PNG
(AG7088 | CHEMBL20210 | US11859014, Compound rupint...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/b11-10+/t21-,22+,24+,28-/m0/s1
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Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50448175
PNG
(CHEMBL3120552)
Show SMILES S=C(Nc1ccccc1)Nc1cccnc1
Show InChI InChI=1S/C12H11N3S/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)
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 8.60E+3n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysi...

Eur J Med Chem 74: 314-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.001
BindingDB Entry DOI: 10.7270/Q2VH5QBM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50448176
PNG
(CHEMBL3120570)
Show SMILES Clc1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C13H9Cl3N2S/c14-8-2-1-3-9(6-8)17-13(19)18-10-4-5-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
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 1.17E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysi...

Eur J Med Chem 74: 314-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.001
BindingDB Entry DOI: 10.7270/Q2VH5QBM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50448174
PNG
(CHEMBL3120548)
Show SMILES Cc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C14H13ClN2S/c1-10-5-7-12(8-6-10)16-14(18)17-13-4-2-3-11(15)9-13/h2-9H,1H3,(H2,16,17,18)
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 1.21E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Non-competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot ana...

Eur J Med Chem 74: 314-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.001
BindingDB Entry DOI: 10.7270/Q2VH5QBM
More data for this
Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642922
PNG
(US11859014, Compound 37)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(O)S([O-])(=O)=O |r|
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Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50448177
PNG
(CHEMBL1576403)
Show SMILES Brc1cccc(NC(=S)Nc2ccccc2)c1
Show InChI InChI=1S/C13H11BrN2S/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17)
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 1.56E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis

Eur J Med Chem 74: 314-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.001
BindingDB Entry DOI: 10.7270/Q2VH5QBM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50448178
PNG
(CHEMBL3120574)
Show SMILES Cc1cccc(NC(=S)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C14H13ClN2S/c1-10-4-2-6-12(8-10)16-14(18)17-13-7-3-5-11(15)9-13/h2-9H,1H3,(H2,16,17,18)
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 1.57E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis

Eur J Med Chem 74: 314-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.001
BindingDB Entry DOI: 10.7270/Q2VH5QBM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50448179
PNG
(CHEMBL1544729)
Show SMILES Fc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C13H10ClFN2S/c14-9-2-1-3-12(8-9)17-13(18)16-11-6-4-10(15)5-7-11/h1-8H,(H2,16,17,18)
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 1.68E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis

Eur J Med Chem 74: 314-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.001
BindingDB Entry DOI: 10.7270/Q2VH5QBM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50448184
PNG
(CHEMBL3120558)
Show SMILES Clc1cccc(NC(=S)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C13H10Cl2N2S/c14-9-3-1-5-11(7-9)16-13(18)17-12-6-2-4-10(15)8-12/h1-8H,(H2,16,17,18)
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 1.81E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis

Eur J Med Chem 74: 314-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.001
BindingDB Entry DOI: 10.7270/Q2VH5QBM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50448182
PNG
(CHEMBL3120560)
Show SMILES Clc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C13H10Cl2N2S/c14-9-4-6-11(7-5-9)16-13(18)17-12-3-1-2-10(15)8-12/h1-8H,(H2,16,17,18)
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 1.81E+4n/an/an/an/an/an/an/an/a



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Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis

Eur J Med Chem 74: 314-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.001
BindingDB Entry DOI: 10.7270/Q2VH5QBM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50448180
PNG
(CHEMBL3120571)
Show SMILES Cc1ccc(Cl)cc1NC(=S)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H12Cl2N2S/c1-9-5-6-11(16)8-13(9)18-14(19)17-12-4-2-3-10(15)7-12/h2-8H,1H3,(H2,17,18,19)
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 1.85E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis

Eur J Med Chem 74: 314-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.001
BindingDB Entry DOI: 10.7270/Q2VH5QBM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50448185
PNG
(CHEMBL3120566)
Show SMILES Cc1ccc(C)c(NC(=S)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C15H15ClN2S/c1-10-6-7-11(2)14(8-10)18-15(19)17-13-5-3-4-12(16)9-13/h3-9H,1-2H3,(H2,17,18,19)
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 1.93E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis

Eur J Med Chem 74: 314-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.001
BindingDB Entry DOI: 10.7270/Q2VH5QBM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50229993
PNG
(2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...)
Show SMILES NC(N)=S
Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
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 2.00E+4n/an/an/an/an/an/an/an/a



University Karachi

Curated by ChEMBL


Assay Description
Competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysi...

Eur J Med Chem 74: 314-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.001
BindingDB Entry DOI: 10.7270/Q2VH5QBM
More data for this
Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642926
PNG
(US11859014, Compound 67)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C1OC1S(C)(=O)=O |r|
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...

Citation and Details

Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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n/an/a 10n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...

Bioorg Med Chem Lett 26: 4101-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.065
BindingDB Entry DOI: 10.7270/Q27S7S8G
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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n/an/a 10n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...

Bioorg Med Chem Lett 26: 4101-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.065
BindingDB Entry DOI: 10.7270/Q27S7S8G
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of the compound towards HIV-reverse transcriptase

Bioorg Med Chem Lett 5: 1819-1824 (1995)


Article DOI: 10.1016/0960-894X(95)00302-A
BindingDB Entry DOI: 10.7270/Q23T9H64
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM25351
PNG
(N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...)
Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
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n/an/a 13n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50271224
PNG
(2'-C-Methyl-uridine-5'-triphosphate | CHEMBL521487)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H17N2O15P3/c1-10(16)7(14)5(25-8(10)12-3-2-6(13)11-9(12)15)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,14,16H,4H2,1H3,(H,20,21)(H,22,23)(H,11,13,15)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NS5B polymerase in HCV genotype 1a infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis

J Med Chem 62: 1859-1874 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01300
BindingDB Entry DOI: 10.7270/Q2M048WP
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50271224
PNG
(2'-C-Methyl-uridine-5'-triphosphate | CHEMBL521487)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H17N2O15P3/c1-10(16)7(14)5(25-8(10)12-3-2-6(13)11-9(12)15)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,14,16H,4H2,1H3,(H,20,21)(H,22,23)(H,11,13,15)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NS5B polymerase in HCV genotype 1a infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis

J Med Chem 62: 1859-1874 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01300
BindingDB Entry DOI: 10.7270/Q2M048WP
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50558593
PNG
(CHEMBL4747406)
Show SMILES Cc1sc(nc1C(=O)NC1CCC(O)CC1)-c1ccc(OC(F)F)c2oc3ccc(NS(C)(=O)=O)cc3c12 |(50.66,-6.46,;51.56,-7.7,;51.09,-9.17,;52.35,-10.07,;53.59,-9.16,;53.11,-7.69,;54.01,-6.45,;53.38,-5.04,;55.54,-6.61,;56.44,-5.36,;55.81,-3.96,;56.72,-2.71,;58.25,-2.87,;59.15,-1.62,;58.87,-4.27,;57.97,-5.52,;52.36,-11.61,;51.02,-12.39,;51.02,-13.94,;52.36,-14.71,;52.37,-16.26,;51.04,-17.03,;51.04,-18.57,;49.7,-16.26,;53.69,-13.93,;55.17,-14.41,;56.08,-13.15,;57.61,-12.99,;58.23,-11.58,;57.32,-10.33,;57.94,-8.92,;59.46,-8.75,;60.08,-7.35,;60.95,-9.15,;59.86,-10.24,;55.79,-10.5,;55.17,-11.91,;53.69,-12.38,)|
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TBA

Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...

Citation and Details

Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50558594
PNG
(CHEMBL4744412)
Show SMILES CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(cs4)C(=O)NC4CCC(O)CC4)c3c2c1 |(15.21,-7.74,;14.59,-9.14,;16.07,-9.54,;14.98,-10.62,;13.06,-9.31,;12.44,-10.72,;13.35,-11.96,;12.73,-13.37,;11.2,-13.54,;10.29,-14.79,;8.82,-14.32,;7.49,-15.1,;7.49,-16.64,;6.16,-17.41,;6.16,-18.95,;4.83,-16.65,;6.15,-14.33,;6.15,-12.78,;7.48,-12,;7.47,-10.46,;8.71,-9.55,;8.23,-8.08,;6.69,-8.09,;6.22,-9.56,;9.14,-6.84,;8.51,-5.43,;10.67,-6.99,;11.57,-5.75,;10.94,-4.34,;11.84,-3.1,;13.37,-3.25,;14.27,-2.01,;14,-4.66,;13.1,-5.9,;8.82,-12.77,;10.29,-12.29,;10.91,-10.89,)|
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n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...

Citation and Details

Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28
More data for this
Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GI/10360/2010/VNM)		BDBM50273967
PNG
(CHEMBL2441741)
Show SMILES [H][C@@]1(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)OCc2ccccc2)C=O)CCNC1=O |r|
Show InChI InChI=1S/C34H40N4O6/c1-22(2)17-29(32(41)36-27(20-39)18-26-15-16-35-31(26)40)37-33(42)30(38-34(43)44-21-23-9-4-3-5-10-23)19-25-13-8-12-24-11-6-7-14-28(24)25/h3-14,20,22,26-27,29-30H,15-19,21H2,1-2H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t26-,27-,29-,30-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of Norovirus prototypic GI.1 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins ...

Bioorg Med Chem Lett 28: 2165-2170 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.012
BindingDB Entry DOI: 10.7270/Q2TH8Q6N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50558595
PNG
(CHEMBL4764245)
Show SMILES CC(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(cs4)C(=O)NC4CCC(O)CC4)c3c2c1 |(67.92,-47.27,;67.3,-48.68,;68.21,-49.92,;65.78,-48.84,;65.16,-50.25,;66.07,-51.5,;65.45,-52.91,;63.91,-53.07,;63,-54.33,;61.53,-53.85,;60.2,-54.63,;60.2,-56.17,;58.87,-56.95,;58.88,-58.49,;57.54,-56.18,;58.86,-53.86,;58.86,-52.31,;60.2,-51.53,;60.19,-49.99,;61.43,-49.08,;60.95,-47.61,;59.4,-47.62,;58.93,-49.09,;61.85,-46.37,;61.22,-44.96,;63.38,-46.53,;64.28,-45.28,;63.65,-43.88,;64.55,-42.63,;66.08,-42.79,;66.99,-41.54,;66.71,-44.19,;65.81,-45.44,;61.53,-52.3,;63,-51.83,;63.63,-50.42,)|
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TBA

Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...

Citation and Details

Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28
More data for this
Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)		BDBM642916
PNG
(US11859014, Compound 11)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O |r|
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n/an/a 44n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50558598
PNG
(CHEMBL4756900)
Show SMILES COc1ccc(-c2nc(C(=O)NC3CCC(O)CC3)c(C)s2)c2c3ccccc3oc12 |(44.37,-16.57,;43.04,-15.79,;43.03,-14.25,;41.69,-13.48,;41.7,-11.93,;43.03,-11.15,;43.02,-9.61,;44.26,-8.7,;43.78,-7.24,;44.68,-5.99,;44.05,-4.59,;46.21,-6.15,;47.11,-4.9,;46.49,-3.5,;47.39,-2.25,;48.92,-2.41,;49.82,-1.16,;49.55,-3.81,;48.64,-5.06,;42.24,-7.24,;41.33,-6,;41.77,-8.71,;44.36,-11.92,;45.84,-11.45,;46.46,-10.04,;47.99,-9.87,;48.9,-11.12,;48.28,-12.53,;46.75,-12.69,;45.84,-13.95,;44.36,-13.47,)|
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n/an/a 44n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...

Citation and Details

Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50271224
PNG
(2'-C-Methyl-uridine-5'-triphosphate | CHEMBL521487)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H17N2O15P3/c1-10(16)7(14)5(25-8(10)12-3-2-6(13)11-9(12)15)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,14,16H,4H2,1H3,(H,20,21)(H,22,23)(H,11,13,15)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NS5B polymerase in HCV genotype 3a infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis

J Med Chem 62: 1859-1874 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01300
BindingDB Entry DOI: 10.7270/Q2M048WP
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50271224
PNG
(2'-C-Methyl-uridine-5'-triphosphate | CHEMBL521487)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H17N2O15P3/c1-10(16)7(14)5(25-8(10)12-3-2-6(13)11-9(12)15)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,14,16H,4H2,1H3,(H,20,21)(H,22,23)(H,11,13,15)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
PDB

UniProtKB/TrEMBL

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n/an/a 47n/an/an/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NS5B polymerase in HCV genotype 3a infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis

J Med Chem 62: 1859-1874 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01300
BindingDB Entry DOI: 10.7270/Q2M048WP
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50271224
PNG
(2'-C-Methyl-uridine-5'-triphosphate | CHEMBL521487)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H17N2O15P3/c1-10(16)7(14)5(25-8(10)12-3-2-6(13)11-9(12)15)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,14,16H,4H2,1H3,(H,20,21)(H,22,23)(H,11,13,15)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NS5B polymerase in HCV genotype 6a infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis

J Med Chem 62: 1859-1874 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01300
BindingDB Entry DOI: 10.7270/Q2M048WP
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50271224
PNG
(2'-C-Methyl-uridine-5'-triphosphate | CHEMBL521487)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H17N2O15P3/c1-10(16)7(14)5(25-8(10)12-3-2-6(13)11-9(12)15)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,14,16H,4H2,1H3,(H,20,21)(H,22,23)(H,11,13,15)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NS5B polymerase in HCV genotype 6a infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis

J Med Chem 62: 1859-1874 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01300
BindingDB Entry DOI: 10.7270/Q2M048WP
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50558600
PNG
(CHEMBL4744894)
Show SMILES COc1ccc(-c2nc(cs2)C(=O)Nc2c(Cl)cncc2Cl)c2c3ccccc3oc12
PDB

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antibodypedia
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n/an/a 48n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...

Citation and Details

Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50558599
PNG
(CHEMBL4799096)
Show SMILES COc1ccc(-c2nc(cs2)C(=O)NC2CCC(O)CC2)c2c3ccccc3oc12 |(61.11,-56.78,;59.77,-56.01,;59.77,-54.47,;58.43,-53.7,;58.43,-52.15,;59.77,-51.37,;59.76,-49.84,;61,-48.93,;60.52,-47.46,;58.97,-47.47,;58.5,-48.94,;61.42,-46.21,;60.79,-44.8,;62.96,-46.36,;63.86,-45.12,;63.23,-43.72,;64.13,-42.47,;65.66,-42.63,;66.56,-41.38,;66.29,-44.03,;65.39,-45.27,;61.1,-52.14,;62.57,-51.66,;63.19,-50.26,;64.72,-50.09,;65.63,-51.34,;65.01,-52.75,;63.48,-52.91,;62.57,-54.17,;61.1,-53.69,)|
PDB

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antibodypedia
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n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...

Citation and Details

Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28
More data for this
Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.4-2002/WeertE022/2002/NL)		BDBM50273967
PNG
(CHEMBL2441741)
Show SMILES [H][C@@]1(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)OCc2ccccc2)C=O)CCNC1=O |r|
Show InChI InChI=1S/C34H40N4O6/c1-22(2)17-29(32(41)36-27(20-39)18-26-15-16-35-31(26)40)37-33(42)30(38-34(43)44-21-23-9-4-3-5-10-23)19-25-13-8-12-24-11-6-7-14-28(24)25/h3-14,20,22,26-27,29-30H,15-19,21H2,1-2H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t26-,27-,29-,30-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins...

Bioorg Med Chem Lett 28: 2165-2170 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.012
BindingDB Entry DOI: 10.7270/Q2TH8Q6N
More data for this
Ligand-Target Pair
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