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Compile Data Set for Download or QSAR

Found 420 hits with Last Name = 'hashimoto' and Initial = 'h'   
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
Alpha-L-fucosidase I


(Homo sapiens (Human))
BDBM50104398
PNG
((R)-2-Methyl-6-(4-nitro-phenylsulfanyl)-tetrahydro...)
Show SMILES CC1SC(Sc2ccc(cc2)[N+]([O-])=O)C(O)[C@H](O)C1O
Show InChI InChI=1S/C12H15NO5S2/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6?,9?,10-,11?,12?/m1/s1
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3.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis


Bioorg Med Chem Lett 6: 1989-1992 (1996)


Article DOI: 10.1016/0960-894X(96)00356-3
BindingDB Entry DOI: 10.7270/Q2PR7W0T
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-1


(Homo sapiens (Human))
BDBM50355656
PNG
(CHEMBL1910970)
Show SMILES NC(CF)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4|
Show InChI InChI=1S/C15H19FN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1
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9.40E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD1 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...


J Med Chem 54: 6919-35 (2011)


Article DOI: 10.1021/jm2008985
BindingDB Entry DOI: 10.7270/Q24F1R4M
More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM50355665
PNG
(CHEMBL1910971)
Show SMILES NC(CCl)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4|
Show InChI InChI=1S/C15H19ClN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1
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1.30E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...


J Med Chem 54: 6919-35 (2011)


Article DOI: 10.1021/jm2008985
BindingDB Entry DOI: 10.7270/Q24F1R4M
More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM50355656
PNG
(CHEMBL1910970)
Show SMILES NC(CF)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4|
Show InChI InChI=1S/C15H19FN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1
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1.60E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...


J Med Chem 54: 6919-35 (2011)


Article DOI: 10.1021/jm2008985
BindingDB Entry DOI: 10.7270/Q24F1R4M
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-3


(Homo sapiens (Human))
BDBM50355657
PNG
(CHEMBL1910972 | CHEMBL1962361)
Show SMILES NC(=O)[C@H](CCCN=C(N)CCl)NC(=O)c1ccccc1 |r,w:7.6|
Show InChI InChI=1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1
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2.80E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD3 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...


J Med Chem 54: 6919-35 (2011)


Article DOI: 10.1021/jm2008985
BindingDB Entry DOI: 10.7270/Q24F1R4M
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-3


(Homo sapiens (Human))
BDBM50355665
PNG
(CHEMBL1910971)
Show SMILES NC(CCl)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4|
Show InChI InChI=1S/C15H19ClN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1
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2.90E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD3 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...


J Med Chem 54: 6919-35 (2011)


Article DOI: 10.1021/jm2008985
BindingDB Entry DOI: 10.7270/Q24F1R4M
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens (Human))
BDBM50287679
PNG
(CHEMBL61555 | Sodium; benzyl 3,4,5-trihydroxy-6-me...)
Show SMILES CC1SC(OP([O-])(=O)OCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C13H19O7PS/c1-8-10(14)11(15)12(16)13(22-8)20-21(17,18)19-7-9-5-3-2-4-6-9/h2-6,8,10-16H,7H2,1H3,(H,17,18)/p-1
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3.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis


Bioorg Med Chem Lett 6: 1989-1992 (1996)


Article DOI: 10.1016/0960-894X(96)00356-3
BindingDB Entry DOI: 10.7270/Q2PR7W0T
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens (Human))
BDBM50104411
PNG
((R)-6-Methyl-tetrahydro-thiopyran-2,3,4,5-tetraol ...)
Show SMILES CC1SC(O)C(O)[C@H](O)C1O
Show InChI InChI=1S/C6H12O4S/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2?,3?,4-,5?,6?/m1/s1
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4.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis


Bioorg Med Chem Lett 6: 1989-1992 (1996)


Article DOI: 10.1016/0960-894X(96)00356-3
BindingDB Entry DOI: 10.7270/Q2PR7W0T
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-1


(Homo sapiens (Human))
BDBM50355657
PNG
(CHEMBL1910972 | CHEMBL1962361)
Show SMILES NC(=O)[C@H](CCCN=C(N)CCl)NC(=O)c1ccccc1 |r,w:7.6|
Show InChI InChI=1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1
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6.20E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD1 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...


J Med Chem 54: 6919-35 (2011)


Article DOI: 10.1021/jm2008985
BindingDB Entry DOI: 10.7270/Q24F1R4M
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-1


(Homo sapiens (Human))
BDBM50355658
PNG
(CHEMBL1910973)
Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6|
Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD1 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...


J Med Chem 54: 6919-35 (2011)


Article DOI: 10.1021/jm2008985
BindingDB Entry DOI: 10.7270/Q24F1R4M
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens (Human))
BDBM50287680
PNG
((3R,4S,5S)-2-Methyl-6-(4-nitro-phenoxy)-tetrahydro...)
Show SMILES CC1SC(Oc2ccc(cc2)[N+]([O-])=O)C(O)C(O)C1O
Show InChI InChI=1S/C12H15NO6S/c1-6-9(14)10(15)11(16)12(20-6)19-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3
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1.18E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis


Bioorg Med Chem Lett 6: 1989-1992 (1996)


Article DOI: 10.1016/0960-894X(96)00356-3
BindingDB Entry DOI: 10.7270/Q2PR7W0T
More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM50355657
PNG
(CHEMBL1910972 | CHEMBL1962361)
Show SMILES NC(=O)[C@H](CCCN=C(N)CCl)NC(=O)c1ccccc1 |r,w:7.6|
Show InChI InChI=1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1
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1.80E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...


J Med Chem 54: 6919-35 (2011)


Article DOI: 10.1021/jm2008985
BindingDB Entry DOI: 10.7270/Q24F1R4M
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens (Human))
BDBM50287682
PNG
((3S,4S,5R)-2-Cyclohexyloxy-6-methyl-tetrahydro-thi...)
Show SMILES CC1SC(OC2CCCCC2)C(O)C(O)C1O
Show InChI InChI=1S/C12H22O4S/c1-7-9(13)10(14)11(15)12(17-7)16-8-5-3-2-4-6-8/h7-15H,2-6H2,1H3
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1.98E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis


Bioorg Med Chem Lett 6: 1989-1992 (1996)


Article DOI: 10.1016/0960-894X(96)00356-3
BindingDB Entry DOI: 10.7270/Q2PR7W0T
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-3


(Homo sapiens (Human))
BDBM50355658
PNG
(CHEMBL1910973)
Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6|
Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1
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2.93E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD3 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...


J Med Chem 54: 6919-35 (2011)


Article DOI: 10.1021/jm2008985
BindingDB Entry DOI: 10.7270/Q24F1R4M
More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM50355658
PNG
(CHEMBL1910973)
Show SMILES NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6|
Show InChI InChI=1S/C14H19FN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1
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3.30E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluoromet...


J Med Chem 54: 6919-35 (2011)


Article DOI: 10.1021/jm2008985
BindingDB Entry DOI: 10.7270/Q24F1R4M
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens (Human))
BDBM50287681
PNG
(CHEMBL59958 | Sodium; Phosphoric acid mono-((3S,4S...)
Show SMILES CC1SC(OP([O-])([O-])=O)C(O)C(O)C1O
Show InChI InChI=1S/C6H13O7PS/c1-2-3(7)4(8)5(9)6(15-2)13-14(10,11)12/h2-9H,1H3,(H2,10,11,12)/p-2
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4.06E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis


Bioorg Med Chem Lett 6: 1989-1992 (1996)


Article DOI: 10.1016/0960-894X(96)00356-3
BindingDB Entry DOI: 10.7270/Q2PR7W0T
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens (Human))
BDBM50287683
PNG
((3S,4S,5R)-2-Methoxy-6-methyl-tetrahydro-thiopyran...)
Show SMILES COC1SC(C)C(O)C(O)C1O
Show InChI InChI=1S/C7H14O4S/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3
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6.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis


Bioorg Med Chem Lett 6: 1989-1992 (1996)


Article DOI: 10.1016/0960-894X(96)00356-3
BindingDB Entry DOI: 10.7270/Q2PR7W0T
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens (Human))
BDBM50287678
PNG
((3R,4S,5S)-2-Methyl-6-methylsulfanyl-tetrahydro-th...)
Show SMILES CSC1SC(C)C(O)C(O)C1O
Show InChI InChI=1S/C7H14O3S2/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3
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2.30E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis


Bioorg Med Chem Lett 6: 1989-1992 (1996)


Article DOI: 10.1016/0960-894X(96)00356-3
BindingDB Entry DOI: 10.7270/Q2PR7W0T
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50370763
PNG
(CHEMBL1203926)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(CCN4CCCCC4)CCn3c2c1
Show InChI InChI=1S/C30H37N3O2/c34-30(35)23-13-14-24-27(21-23)33-20-19-32(18-17-31-15-7-2-8-16-31)26-12-6-5-11-25(26)29(33)28(24)22-9-3-1-4-10-22/h5-6,11-14,21-22H,1-4,7-10,15-20H2,(H,34,35)
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n/an/a 9n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50110994
PNG
(4-[2-Methyl-4-(5-methyl-thiophen-2-yl)-oxazol-5-yl...)
Show SMILES Cc1ccc(s1)-c1nc(C)oc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N2O3S2/c1-9-3-8-13(21-9)14-15(20-10(2)17-14)11-4-6-12(7-5-11)22(16,18)19/h3-8H,1-2H3,(H2,16,18,19)
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n/an/a 12n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified Prostaglandin G/H synthase 2


J Med Chem 45: 1511-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H995XZ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191541
PNG
(2-[4-(4'-chloro-4-methylcarbamoylbiphenyl-2-ylmeth...)
Show SMILES CNC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H31ClFN3O4/c1-38-34(41)22-9-14-28(21-7-11-25(36)12-8-21)24(17-22)20-44-27-13-15-29(30(37)19-27)33-39-31-18-23(35(42)43)10-16-32(31)40(33)26-5-3-2-4-6-26/h7-19,26H,2-6,20H2,1H3,(H,38,41)(H,42,43)
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n/an/a 12n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191533
PNG
(2-[4-(4'-chloro-4-dimethylcarbamoylbiphenyl-2-ylme...)
Show SMILES CN(C)C(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H33ClFN3O4/c1-40(2)35(42)23-10-15-29(22-8-12-26(37)13-9-22)25(18-23)21-45-28-14-16-30(31(38)20-28)34-39-32-19-24(36(43)44)11-17-33(32)41(34)27-6-4-3-5-7-27/h8-20,27H,3-7,21H2,1-2H3,(H,43,44)
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n/an/a 12n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191549
PNG
(2-[4-(4'-chloro-4-isopropylcarbamoylbiphenyl-2-ylm...)
Show SMILES CC(C)NC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C37H35ClFN3O4/c1-22(2)40-36(43)24-10-15-30(23-8-12-27(38)13-9-23)26(18-24)21-46-29-14-16-31(32(39)20-29)35-41-33-19-25(37(44)45)11-17-34(33)42(35)28-6-4-3-5-7-28/h8-20,22,28H,3-7,21H2,1-2H3,(H,40,43)(H,44,45)
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n/an/a 13n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191505
PNG
(2-[4-(4-carbamoyl-4'-chlorobiphenyl-2-ylmethoxy)ph...)
Show SMILES NC(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30ClN3O4/c35-26-12-6-21(7-13-26)29-16-10-23(32(36)39)18-25(29)20-42-28-14-8-22(9-15-28)33-37-30-19-24(34(40)41)11-17-31(30)38(33)27-4-2-1-3-5-27/h6-19,27H,1-5,20H2,(H2,36,39)(H,40,41)
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n/an/a 13n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191538
PNG
(2-[4-(4-acetylamino-4'-chlorobiphenyl-2-ylmethoxy)...)
Show SMILES CC(=O)Nc1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H31ClFN3O4/c1-21(41)38-26-12-14-29(22-7-10-25(36)11-8-22)24(17-26)20-44-28-13-15-30(31(37)19-28)34-39-32-18-23(35(42)43)9-16-33(32)40(34)27-5-3-2-4-6-27/h7-19,27H,2-6,20H2,1H3,(H,38,41)(H,42,43)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191508
PNG
(2-{4-[4'-chloro-4-(morpholine-4-carbonyl)biphenyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)C(=O)N2CCOCC2)cc1F
Show InChI InChI=1S/C38H35ClFN3O5/c39-28-10-6-24(7-11-28)31-13-8-25(37(44)42-16-18-47-19-17-42)20-27(31)23-48-30-12-14-32(33(40)22-30)36-41-34-21-26(38(45)46)9-15-35(34)43(36)29-4-2-1-3-5-29/h6-15,20-22,29H,1-5,16-19,23H2,(H,45,46)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50158838
PNG
(2-{4-[2-(4-chlorophenyl)-5-(4-hydroxyhexahydro-1-p...)
Show SMILES OC1CCN(CC1)C(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C39H37ClFN3O5/c40-28-10-6-24(7-11-28)32-13-8-25(38(46)43-18-16-30(45)17-19-43)20-27(32)23-49-31-12-14-33(34(41)22-31)37-42-35-21-26(39(47)48)9-15-36(35)44(37)29-4-2-1-3-5-29/h6-15,20-22,29-30,45H,1-5,16-19,23H2,(H,47,48)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191527
PNG
(2-[4-(4'-chloro-4-dimethylcarbamoylbiphenyl-2-ylme...)
Show SMILES CN(C)C(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H34ClN3O4/c1-39(2)35(41)25-12-18-31(23-8-14-28(37)15-9-23)27(20-25)22-44-30-16-10-24(11-17-30)34-38-32-21-26(36(42)43)13-19-33(32)40(34)29-6-4-3-5-7-29/h8-21,29H,3-7,22H2,1-2H3,(H,42,43)
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n/an/a 15n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191519
PNG
(2-{4-[4-(acetylmethylamino)-4'-chlorobiphenyl-2-yl...)
Show SMILES CN(C(C)=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H33ClFN3O4/c1-22(42)40(2)28-13-15-30(23-8-11-26(37)12-9-23)25(18-28)21-45-29-14-16-31(32(38)20-29)35-39-33-19-24(36(43)44)10-17-34(33)41(35)27-6-4-3-5-7-27/h8-20,27H,3-7,21H2,1-2H3,(H,43,44)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191532
PNG
(2-[4-(4'-chloro-4-sulfamoylbiphenyl-2-ylmethoxy)ph...)
Show SMILES NS(=O)(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C33H30ClN3O5S/c34-25-11-6-21(7-12-25)29-16-15-28(43(35,40)41)18-24(29)20-42-27-13-8-22(9-14-27)32-36-30-19-23(33(38)39)10-17-31(30)37(32)26-4-2-1-3-5-26/h6-19,26H,1-5,20H2,(H,38,39)(H2,35,40,41)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199051
PNG
(3-benzyloxy-12-cyclohexyl-6,7-dihydro-5-oxa-7a-aza...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccc(OCc5ccccc5)cc4OCCn3c2c1
Show InChI InChI=1S/C30H29NO4/c32-30(33)22-11-13-24-26(17-22)31-15-16-34-27-18-23(35-19-20-7-3-1-4-8-20)12-14-25(27)29(31)28(24)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16,19H2,(H,32,33)
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n/an/a 17n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50370761
PNG
(CHEMBL1204385)
Show SMILES CN(C)CCN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C27H33N3O2/c1-28(2)14-15-29-16-17-30-24-18-20(27(31)32)12-13-21(24)25(19-8-4-3-5-9-19)26(30)22-10-6-7-11-23(22)29/h6-7,10-13,18-19H,3-5,8-9,14-17H2,1-2H3,(H,31,32)
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n/an/a 18n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191525
PNG
(2-{4-[4'-chloro-4-(piperidine-1-carbonyl)biphenyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)C(=O)N2CCCCC2)cc1F
Show InChI InChI=1S/C39H37ClFN3O4/c40-29-13-9-25(10-14-29)32-16-11-26(38(45)43-19-5-2-6-20-43)21-28(32)24-48-31-15-17-33(34(41)23-31)37-42-35-22-27(39(46)47)12-18-36(35)44(37)30-7-3-1-4-8-30/h9-18,21-23,30H,1-8,19-20,24H2,(H,46,47)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191529
PNG
(2-[4-(4-acetyl-4'-chlorobiphenyl-2-ylmethoxy)pheny...)
Show SMILES CC(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H31ClN2O4/c1-22(39)25-11-17-31(23-7-13-28(36)14-8-23)27(19-25)21-42-30-15-9-24(10-16-30)34-37-32-20-26(35(40)41)12-18-33(32)38(34)29-5-3-2-4-6-29/h7-20,29H,2-6,21H2,1H3,(H,40,41)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191531
PNG
(2-[4-(4'-chloro-4-methylcarbamoylbiphenyl-2-ylmeth...)
Show SMILES CNC(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H32ClN3O4/c1-37-34(40)24-11-17-30(22-7-13-27(36)14-8-22)26(19-24)21-43-29-15-9-23(10-16-29)33-38-31-20-25(35(41)42)12-18-32(31)39(33)28-5-3-2-4-6-28/h7-20,28H,2-6,21H2,1H3,(H,37,40)(H,41,42)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199043
PNG
(13-cyclohexyl-5-methyl-6,7-dihydro-5H-benzo[5,6][1...)
Show SMILES CN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C24H26N2O2/c1-25-13-14-26-21-15-17(24(27)28)11-12-18(21)22(16-7-3-2-4-8-16)23(26)19-9-5-6-10-20(19)25/h5-6,9-12,15-16H,2-4,7-8,13-14H2,1H3,(H,27,28)
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n/an/a 19n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191542
PNG
(2-{4-[4-(acetylethylamino)-4'-chlorobiphenyl-2-ylm...)
Show SMILES CCN(C(C)=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C37H35ClFN3O4/c1-3-41(23(2)43)29-14-16-31(24-9-12-27(38)13-10-24)26(19-29)22-46-30-15-17-32(33(39)21-30)36-40-34-20-25(37(44)45)11-18-35(34)42(36)28-7-5-4-6-8-28/h9-21,28H,3-8,22H2,1-2H3,(H,44,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50107528
PNG
(4-[4-(4-Fluoro-phenyl)-2-methyl-oxazol-5-yl]-benze...)
Show SMILES Cc1nc(c(o1)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H13FN2O3S/c1-10-19-15(11-2-6-13(17)7-3-11)16(22-10)12-4-8-14(9-5-12)23(18,20)21/h2-9H,1H3,(H2,18,20,21)
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n/an/a 20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified Prostaglandin G/H synthase 2


J Med Chem 45: 1511-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H995XZ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50107530
PNG
(4-[4-(5-Chloro-thiophen-2-yl)-2-methyl-oxazol-5-yl...)
Show SMILES Cc1nc(-c2ccc(Cl)s2)c(o1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H11ClN2O3S2/c1-8-17-13(11-6-7-12(15)21-11)14(20-8)9-2-4-10(5-3-9)22(16,18)19/h2-7H,1H3,(H2,16,18,19)
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n/an/a 20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound towards human recombinant Prostaglandin G/H synthase 2 enzyme


Bioorg Med Chem Lett 12: 65-8 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q1V
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50370762
PNG
(CHEMBL1203925)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4NCCn3c2c1
Show InChI InChI=1S/C23H24N2O2/c26-23(27)16-10-11-18-20(14-16)25-13-12-24-19-9-5-4-8-17(19)22(25)21(18)15-6-2-1-3-7-15/h4-5,8-11,14-15,24H,1-3,6-7,12-13H2,(H,26,27)
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n/an/a 21n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191548
PNG
(2-{4-[4'-chloro-4-(2-hydroxyethylcarbamoyl)bipheny...)
Show SMILES OCCNC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H33ClFN3O5/c37-26-10-6-22(7-11-26)29-13-8-23(35(43)39-16-17-42)18-25(29)21-46-28-12-14-30(31(38)20-28)34-40-32-19-24(36(44)45)9-15-33(32)41(34)27-4-2-1-3-5-27/h6-15,18-20,27,42H,1-5,16-17,21H2,(H,39,43)(H,44,45)
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n/an/a 21n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191524
PNG
(2-[4-(4'-chloro-4-propylcarbamoylbiphenyl-2-ylmeth...)
Show SMILES CCCNC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C37H35ClFN3O4/c1-2-18-40-36(43)24-10-15-30(23-8-12-27(38)13-9-23)26(19-24)22-46-29-14-16-31(32(39)21-29)35-41-33-20-25(37(44)45)11-17-34(33)42(35)28-6-4-3-5-7-28/h8-17,19-21,28H,2-7,18,22H2,1H3,(H,40,43)(H,44,45)
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n/an/a 21n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191543
PNG
(2-{4-[4-(acetylisopropylamino)-4'-chlorobiphenyl-2...)
Show SMILES CC(C)N(C(C)=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C38H37ClFN3O4/c1-23(2)42(24(3)44)30-14-16-32(25-9-12-28(39)13-10-25)27(19-30)22-47-31-15-17-33(34(40)21-31)37-41-35-20-26(38(45)46)11-18-36(35)43(37)29-7-5-4-6-8-29/h9-21,23,29H,4-8,22H2,1-3H3,(H,45,46)
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n/an/a 21n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191544
PNG
(2-[4-(4-acetylamino-4'-chlorobiphenyl-2-ylmethoxy)...)
Show SMILES CC(=O)Nc1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H32ClN3O4/c1-22(40)37-28-14-17-31(23-7-12-27(36)13-8-23)26(19-28)21-43-30-15-9-24(10-16-30)34-38-32-20-25(35(41)42)11-18-33(32)39(34)29-5-3-2-4-6-29/h7-20,29H,2-6,21H2,1H3,(H,37,40)(H,41,42)
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n/an/a 22n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191515
PNG
(2-{4-[4'-chloro-4-(3,3-dimethylureido)biphenyl-2-y...)
Show SMILES CN(C)C(=O)Nc1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H34ClFN4O4/c1-41(2)36(45)39-26-13-15-29(22-8-11-25(37)12-9-22)24(18-26)21-46-28-14-16-30(31(38)20-28)34-40-32-19-23(35(43)44)10-17-33(32)42(34)27-6-4-3-5-7-27/h8-20,27H,3-7,21H2,1-2H3,(H,39,45)(H,43,44)
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n/an/a 22n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320009
PNG
((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)
Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191518
PNG
(2-[4-(4'-chloro-4-dimethylsulfamoylbiphenyl-2-ylme...)
Show SMILES CN(C)S(=O)(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H34ClN3O5S/c1-38(2)45(42,43)30-17-18-31(23-8-13-27(36)14-9-23)26(20-30)22-44-29-15-10-24(11-16-29)34-37-32-21-25(35(40)41)12-19-33(32)39(34)28-6-4-3-5-7-28/h8-21,28H,3-7,22H2,1-2H3,(H,40,41)
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n/an/a 23n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199042
PNG
(13-cyclohexyl-5-(dimethylcarbamoylmethyl)-6,7-dihy...)
Show SMILES CN(C)C(=O)CN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C27H31N3O3/c1-28(2)24(31)17-29-14-15-30-23-16-19(27(32)33)12-13-20(23)25(18-8-4-3-5-9-18)26(30)21-10-6-7-11-22(21)29/h6-7,10-13,16,18H,3-5,8-9,14-15,17H2,1-2H3,(H,32,33)
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n/an/a 24n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50107528
PNG
(4-[4-(4-Fluoro-phenyl)-2-methyl-oxazol-5-yl]-benze...)
Show SMILES Cc1nc(c(o1)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H13FN2O3S/c1-10-19-15(11-2-6-13(17)7-3-11)16(22-10)12-4-8-14(9-5-12)23(18,20)21/h2-9H,1H3,(H2,18,20,21)
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n/an/a 24n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound towards human recombinant Prostaglandin G/H synthase 2 enzyme


Bioorg Med Chem Lett 12: 65-8 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q1V
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191513
PNG
(2-[4-(4-carboxy-4'-chlorobiphenyl-2-ylmethoxy)phen...)
Show SMILES OC(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H29ClN2O5/c35-26-12-6-21(7-13-26)29-16-10-23(33(38)39)18-25(29)20-42-28-14-8-22(9-15-28)32-36-30-19-24(34(40)41)11-17-31(30)37(32)27-4-2-1-3-5-27/h6-19,27H,1-5,20H2,(H,38,39)(H,40,41)
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n/an/a 24n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
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