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Compile Data Set for Download or QSAR

Found 261 hits with Last Name = 'finzel' and Initial = 'bc'   
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 protease


(Human immunodeficiency virus type 1)
BDBM50054629
PNG
(3-(Cyclopropyl-phenyl-methyl)-4-hydroxy-6,6-diprop...)
Show SMILES CCCC1(CCC)CC(=O)C(C(C2CC2)c2ccccc2)C(=O)O1
Show InChI InChI=1S/C21H28O3/c1-3-12-21(13-4-2)14-17(22)19(20(23)24-21)18(16-10-11-16)15-8-6-5-7-9-15/h5-9,16,18-19H,3-4,10-14H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
HIV Protease inhibitory activity


J Med Chem 39: 4630-42 (1996)


Article DOI: 10.1021/jm960228q
BindingDB Entry DOI: 10.7270/Q247490H
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM771
PNG
(3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H,5H,6H,7...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1ccccc1
Show InChI InChI=1S/C21H24O3/c22-20-16-10-6-1-2-7-11-17(16)24-21(23)19(20)18(15-12-13-15)14-8-4-3-5-9-14/h3-5,8-9,15,18,22H,1-2,6-7,10-13H2
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PubMed
15 -44.2n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 38: 1884-91 (1995)


Article DOI: 10.1021/jm00011a008
BindingDB Entry DOI: 10.7270/Q2Q81B80
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50054610
PNG
(4-Hydroxy-6-phenethyl-3-(1-phenyl-allyl)-6-propyl-...)
Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(C=C)c2ccccc2)C(=O)O1
Show InChI InChI=1S/C25H28O3/c1-3-16-25(17-15-19-11-7-5-8-12-19)18-22(26)23(24(27)28-25)21(4-2)20-13-9-6-10-14-20/h4-14,21,23H,2-3,15-18H2,1H3
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16n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
HIV Protease inhibitory activity


J Med Chem 39: 4630-42 (1996)


Article DOI: 10.1021/jm960228q
BindingDB Entry DOI: 10.7270/Q247490H
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM784
PNG
(4-hydroxy-3-(2-methyl-1-phenylpropyl)-2H,5H,6H,7H,...)
Show SMILES CC(C)C(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C21H26O3/c1-14(2)18(15-10-6-5-7-11-15)19-20(22)16-12-8-3-4-9-13-17(16)24-21(19)23/h5-7,10-11,14,18,22H,3-4,8-9,12-13H2,1-2H3
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22 -43.3n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 38: 1884-91 (1995)


Article DOI: 10.1021/jm00011a008
BindingDB Entry DOI: 10.7270/Q2Q81B80
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50054615
PNG
(4-Hydroxy-3-(1-phenyl-propyl)-6,6-dipropyl-5,6-dih...)
Show SMILES CCCC1(CCC)CC(=O)C(C(CC)c2ccccc2)C(=O)O1
Show InChI InChI=1S/C20H28O3/c1-4-12-20(13-5-2)14-17(21)18(19(22)23-20)16(6-3)15-10-8-7-9-11-15/h7-11,16,18H,4-6,12-14H2,1-3H3
PDB
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22n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
HIV Protease inhibitory activity


J Med Chem 39: 4630-42 (1996)


Article DOI: 10.1021/jm960228q
BindingDB Entry DOI: 10.7270/Q247490H
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM783
PNG
(4-hydroxy-3-(1-phenylbutyl)-2H,5H,6H,7H,8H,9H,10H-...)
Show SMILES CCCC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C21H26O3/c1-2-10-16(15-11-6-5-7-12-15)19-20(22)17-13-8-3-4-9-14-18(17)24-21(19)23/h5-7,11-12,16,22H,2-4,8-10,13-14H2,1H3
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29 -42.6n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 38: 1884-91 (1995)


Article DOI: 10.1021/jm00011a008
BindingDB Entry DOI: 10.7270/Q2Q81B80
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50054616
PNG
(3-(1,3-Diphenyl-propyl)-4-hydroxy-6-phenethyl-6-pr...)
Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CCc2ccccc2)c2ccccc2)C(=O)O1
Show InChI InChI=1S/C31H34O3/c1-2-21-31(22-20-25-14-8-4-9-15-25)23-28(32)29(30(33)34-31)27(26-16-10-5-11-17-26)19-18-24-12-6-3-7-13-24/h3-17,27,29H,2,18-23H2,1H3
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33n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
HIV Protease inhibitory activity


J Med Chem 39: 4630-42 (1996)


Article DOI: 10.1021/jm960228q
BindingDB Entry DOI: 10.7270/Q247490H
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50054619
PNG
(4-Hydroxy-6-phenethyl-3-(1-phenyl-propyl)-6-propyl...)
Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2ccccc2)C(=O)O1
Show InChI InChI=1S/C25H30O3/c1-3-16-25(17-15-19-11-7-5-8-12-19)18-22(26)23(24(27)28-25)21(4-2)20-13-9-6-10-14-20/h5-14,21,23H,3-4,15-18H2,1-2H3
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35n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
HIV Protease inhibitory activity


J Med Chem 39: 4630-42 (1996)


Article DOI: 10.1021/jm960228q
BindingDB Entry DOI: 10.7270/Q247490H
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50054630
PNG
(3-(Cyclopentyl-phenyl-methyl)-4-hydroxy-6,6-diprop...)
Show SMILES CCCC1(CCC)CC(=O)C(C(C2CCCC2)c2ccccc2)C(=O)O1
Show InChI InChI=1S/C23H32O3/c1-3-14-23(15-4-2)16-19(24)21(22(25)26-23)20(18-12-8-9-13-18)17-10-6-5-7-11-17/h5-7,10-11,18,20-21H,3-4,8-9,12-16H2,1-2H3
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39n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
HIV Protease inhibitory activity


J Med Chem 39: 4630-42 (1996)


Article DOI: 10.1021/jm960228q
BindingDB Entry DOI: 10.7270/Q247490H
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50054614
PNG
(3-((E)-1,3-Diphenyl-allyl)-4-hydroxy-6-phenethyl-6...)
Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(\C=C\c2ccccc2)c2ccccc2)C(=O)O1
Show InChI InChI=1S/C31H32O3/c1-2-21-31(22-20-25-14-8-4-9-15-25)23-28(32)29(30(33)34-31)27(26-16-10-5-11-17-26)19-18-24-12-6-3-7-13-24/h3-19,27,29H,2,20-23H2,1H3/b19-18+
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50n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
HIV Protease inhibitory activity


J Med Chem 39: 4630-42 (1996)


Article DOI: 10.1021/jm960228q
BindingDB Entry DOI: 10.7270/Q247490H
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM789
PNG
(3-(Dicyclopropylmethy1)-5,6,7,8,9,l0-hexahydro-4-d...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)C1CC1
Show InChI InChI=1S/C18H24O3/c19-17-13-5-3-1-2-4-6-14(13)21-18(20)16(17)15(11-7-8-11)12-9-10-12/h11-12,15,19H,1-10H2
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57 -40.9n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 38: 1884-91 (1995)


Article DOI: 10.1021/jm00011a008
BindingDB Entry DOI: 10.7270/Q2Q81B80
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50054618
PNG
(3-(Cyclopentyl-phenyl-methyl)-4-hydroxy-6-phenethy...)
Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(C2CCCC2)c2ccccc2)C(=O)O1
Show InChI InChI=1S/C28H34O3/c1-2-18-28(19-17-21-11-5-3-6-12-21)20-24(29)26(27(30)31-28)25(23-15-9-10-16-23)22-13-7-4-8-14-22/h3-8,11-14,23,25-26H,2,9-10,15-20H2,1H3
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59n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
HIV Protease inhibitory activity


J Med Chem 39: 4630-42 (1996)


Article DOI: 10.1021/jm960228q
BindingDB Entry DOI: 10.7270/Q247490H
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM786
PNG
(4-hydroxy-3-(1-phenylpentyl)-2H,5H,6H,7H,8H,9H,10H...)
Show SMILES CCCCC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C22H28O3/c1-2-3-13-17(16-11-7-6-8-12-16)20-21(23)18-14-9-4-5-10-15-19(18)25-22(20)24/h6-8,11-12,17,23H,2-5,9-10,13-15H2,1H3
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62 -40.7n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 38: 1884-91 (1995)


Article DOI: 10.1021/jm00011a008
BindingDB Entry DOI: 10.7270/Q2Q81B80
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50054628
PNG
(3-(Cyclopropyl-phenyl-methyl)-4-hydroxy-6-phenethy...)
Show SMILES CCCC1(CCc2ccccc2)CC(=O)C(C(C2CC2)c2ccccc2)C(=O)O1
Show InChI InChI=1S/C26H30O3/c1-2-16-26(17-15-19-9-5-3-6-10-19)18-22(27)24(25(28)29-26)23(21-13-14-21)20-11-7-4-8-12-20/h3-12,21,23-24H,2,13-18H2,1H3
PDB
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64n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
HIV Protease inhibitory activity


J Med Chem 39: 4630-42 (1996)


Article DOI: 10.1021/jm960228q
BindingDB Entry DOI: 10.7270/Q247490H
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM782
PNG
(4-hydroxy-3-(1-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H...)
Show SMILES CCC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C20H24O3/c1-2-15(14-10-6-5-7-11-14)18-19(21)16-12-8-3-4-9-13-17(16)23-20(18)22/h5-7,10-11,15,21H,2-4,8-9,12-13H2,1H3
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75 -40.3n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 38: 1884-91 (1995)


Article DOI: 10.1021/jm00011a008
BindingDB Entry DOI: 10.7270/Q2Q81B80
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM787
PNG
(4-hydroxy-3-(3-methyl-1-phenylbutyl)-2H,5H,6H,7H,8...)
Show SMILES CC(C)CC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O
Show InChI InChI=1S/C22H28O3/c1-15(2)14-18(16-10-6-5-7-11-16)20-21(23)17-12-8-3-4-9-13-19(17)25-22(20)24/h5-7,10-11,15,18,23H,3-4,8-9,12-14H2,1-2H3
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90 -39.8n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 38: 1884-91 (1995)


Article DOI: 10.1021/jm00011a008
BindingDB Entry DOI: 10.7270/Q2Q81B80
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50054608
PNG
(4-Hydroxy-6-phenyl-3-(1-phenyl-propyl)-6-propyl-5,...)
Show SMILES CCCC1(CC(=O)C(C(CC)c2ccccc2)C(=O)O1)c1ccccc1
Show InChI InChI=1S/C23H26O3/c1-3-15-23(18-13-9-6-10-14-18)16-20(24)21(22(25)26-23)19(4-2)17-11-7-5-8-12-17/h5-14,19,21H,3-4,15-16H2,1-2H3
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95n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
HIV Protease inhibitory activity


J Med Chem 39: 4630-42 (1996)


Article DOI: 10.1021/jm960228q
BindingDB Entry DOI: 10.7270/Q247490H
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50054609
PNG
(6-Ethyl-4-hydroxy-6-phenyl-3-(1-phenyl-propyl)-5,6...)
Show SMILES CCC(C1C(=O)CC(CC)(OC1=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H24O3/c1-3-18(16-11-7-5-8-12-16)20-19(23)15-22(4-2,25-21(20)24)17-13-9-6-10-14-17/h5-14,18,20H,3-4,15H2,1-2H3
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160n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
HIV Protease inhibitory activity


J Med Chem 39: 4630-42 (1996)


Article DOI: 10.1021/jm960228q
BindingDB Entry DOI: 10.7270/Q247490H
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM788
PNG
(3-(Diphenylmethyl)-5,6,7,8,9,1O-hexahydro-4-hydrox...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H24O3/c25-23-19-15-9-1-2-10-16-20(19)27-24(26)22(23)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,21,25H,1-2,9-10,15-16H2
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180 -38.1n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 38: 1884-91 (1995)


Article DOI: 10.1021/jm00011a008
BindingDB Entry DOI: 10.7270/Q2Q81B80
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50054624
PNG
(6-Cyclohexyl-4-hydroxy-3-[1-(3-hydroxy-phenyl)-pro...)
Show SMILES CCC(C1C(=O)CC(OC1=O)(C1CCCCC1)c1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C26H30O4/c1-2-22(18-10-9-15-21(27)16-18)24-23(28)17-26(30-25(24)29,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3,5-6,9-12,15-16,20,22,24,27H,2,4,7-8,13-14,17H2,1H3
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610n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
HIV Protease inhibitory activity


J Med Chem 39: 4630-42 (1996)


Article DOI: 10.1021/jm960228q
BindingDB Entry DOI: 10.7270/Q247490H
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50382322
PNG
(CHEMBL2024689)
Show SMILES CCc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(n1)-c1cccc(C)n1
Show InChI InChI=1S/C20H19N5O/c1-4-15-11-18(25(23-15)19-7-5-6-13(2)22-19)14-8-9-17-16(10-14)20(26)24(3)12-21-17/h5-12H,4H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50382321
PNG
(CHEMBL2024688)
Show SMILES Cc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C18H15N5O/c1-11-9-21-23(16-5-3-4-12(2)22-16)17(11)13-6-7-15-14(8-13)18(24)20-10-19-15/h3-10H,1-2H3,(H,19,20,24)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50382324
PNG
(CHEMBL2024691)
Show SMILES CCc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-3-13-10-22-24(17-6-4-5-12(2)23-17)18(13)14-7-8-16-15(9-14)19(25)21-11-20-16/h4-11H,3H2,1-2H3,(H,20,21,25)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50382320
PNG
(CHEMBL2024687)
Show SMILES Cc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(n1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-12-5-4-6-18(21-12)24-17(9-13(2)22-24)14-7-8-16-15(10-14)19(25)23(3)11-20-16/h4-11H,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50382319
PNG
(CHEMBL2024686)
Show SMILES Cc1cnn(c1-c1ccc2ncn(C)c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-12-10-21-24(17-6-4-5-13(2)22-17)18(12)14-7-8-16-15(9-14)19(25)23(3)11-20-16/h4-11H,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50382318
PNG
(CHEMBL2024685)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C=C)c(=O)c2c1
Show InChI InChI=1S/C19H15N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h3-12H,1H2,2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50382325
PNG
(CHEMBL2024693)
Show SMILES Cc1cccc(n1)-n1nc2CCCc2c1-c1ccc2nc[nH]c(=O)c2c1
Show InChI InChI=1S/C20H17N5O/c1-12-4-2-7-18(23-12)25-19(14-5-3-6-17(14)24-25)13-8-9-16-15(10-13)20(26)22-11-21-16/h2,4,7-11H,3,5-6H2,1H3,(H,21,22,26)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50382323
PNG
(CHEMBL2024690)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2nc[nH]c(=O)c2c1
Show InChI InChI=1S/C17H13N5O/c1-11-3-2-4-16(21-11)22-15(7-8-20-22)12-5-6-14-13(9-12)17(23)19-10-18-14/h2-10H,1H3,(H,18,19,23)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50382317
PNG
(CHEMBL2024684)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C18H15N5O/c1-12-4-3-5-17(21-12)23-16(8-9-20-23)13-6-7-15-14(10-13)18(24)22(2)11-19-15/h3-11H,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50166407
PNG
((Z)-2-Benzoylamino-3-[4-(2-bromo-6-fluoro-phenoxy)...)
Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2c(F)cccc2Br)cc1
Show InChI InChI=1S/C22H15BrFNO4/c23-17-7-4-8-18(24)20(17)29-16-11-9-14(10-12-16)13-19(22(27)28)25-21(26)15-5-2-1-3-6-15/h1-13H,(H,25,26)(H,27,28)/b19-13-
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus


Bioorg Med Chem Lett 15: 2812-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.106
BindingDB Entry DOI: 10.7270/Q26M36C7
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50166407
PNG
((Z)-2-Benzoylamino-3-[4-(2-bromo-6-fluoro-phenoxy)...)
Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2c(F)cccc2Br)cc1
Show InChI InChI=1S/C22H15BrFNO4/c23-17-7-4-8-18(24)20(17)29-16-11-9-14(10-12-16)13-19(22(27)28)25-21(26)15-5-2-1-3-6-15/h1-13H,(H,25,26)(H,27,28)/b19-13-
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against Hepatitis C virus NS5B polymerase


Bioorg Med Chem Lett 15: 2481-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.066
BindingDB Entry DOI: 10.7270/Q2VH5NC7
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50166360
PNG
((Z)-2-Benzoylamino-3-[4-(2-iodo-phenoxy)-phenyl]-a...)
Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2ccccc2I)cc1
Show InChI InChI=1S/C22H16INO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against Hepatitis C virus NS5B polymerase


Bioorg Med Chem Lett 15: 2481-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.066
BindingDB Entry DOI: 10.7270/Q2VH5NC7
More data for this
Ligand-Target Pair
ALK5


(Mus musculus)
BDBM50382318
PNG
(CHEMBL2024685)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C=C)c(=O)c2c1
Show InChI InChI=1S/C19H15N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h3-12H,1H2,2H3
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n/an/a 44n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
ALK5


(Mus musculus)
BDBM50382325
PNG
(CHEMBL2024693)
Show SMILES Cc1cccc(n1)-n1nc2CCCc2c1-c1ccc2nc[nH]c(=O)c2c1
Show InChI InChI=1S/C20H17N5O/c1-12-4-2-7-18(23-12)25-19(14-5-3-6-17(14)24-25)13-8-9-16-15(10-13)20(26)22-11-21-16/h2,4,7-11H,3,5-6H2,1H3,(H,21,22,26)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
ALK5


(Mus musculus)
BDBM50382324
PNG
(CHEMBL2024691)
Show SMILES CCc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-3-13-10-22-24(17-6-4-5-12(2)23-17)18(13)14-7-8-16-15(9-14)19(25)21-11-20-16/h4-11H,3H2,1-2H3,(H,20,21,25)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50167658
PNG
((Z)-3-[4-(2-Bromo-phenoxy)-phenyl]-2-(2-ethyl-benz...)
Show SMILES CCc1ccccc1C(=O)N\C(=C/c1ccc(Oc2ccccc2Br)cc1)C(O)=O
Show InChI InChI=1S/C24H20BrNO4/c1-2-17-7-3-4-8-19(17)23(27)26-21(24(28)29)15-16-11-13-18(14-12-16)30-22-10-6-5-9-20(22)25/h3-15H,2H2,1H3,(H,26,27)(H,28,29)/b21-15-
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus


Bioorg Med Chem Lett 15: 2812-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.106
BindingDB Entry DOI: 10.7270/Q26M36C7
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM50382317
PNG
(CHEMBL2024684)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C18H15N5O/c1-12-4-3-5-17(21-12)23-16(8-9-20-23)13-6-7-15-14(10-13)18(24)22(2)11-19-15/h3-11H,1-2H3
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n/an/a 59n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK4


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50167655
PNG
(CHEMBL371345 | {(Z)-2-Benzoylamino-3-[4-(2-bromo-p...)
Show SMILES OC(=O)CNC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2ccccc2Br)cc1
Show InChI InChI=1S/C24H19BrN2O5/c25-19-8-4-5-9-21(19)32-18-12-10-16(11-13-18)14-20(24(31)26-15-22(28)29)27-23(30)17-6-2-1-3-7-17/h1-14H,15H2,(H,26,31)(H,27,30)(H,28,29)/b20-14-
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n/an/a 60n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus


Bioorg Med Chem Lett 15: 2812-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.106
BindingDB Entry DOI: 10.7270/Q26M36C7
More data for this
Ligand-Target Pair
ALK5


(Mus musculus)
BDBM50382321
PNG
(CHEMBL2024688)
Show SMILES Cc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C18H15N5O/c1-11-9-21-23(16-5-3-4-12(2)22-16)17(11)13-6-7-15-14(8-13)18(24)20-10-19-15/h3-10H,1-2H3,(H,19,20,24)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50382326
PNG
(CHEMBL2024692)
Show SMILES CCn1cnc2ccc(cc2c1=O)-c1ccnn1-c1cccc(C)n1
Show InChI InChI=1S/C19H17N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h4-12H,3H2,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50166374
PNG
((Z)-2-Benzoylamino-3-[4-(2-chloro-6-fluoro-phenoxy...)
Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2c(F)cccc2Cl)cc1
Show InChI InChI=1S/C22H15ClFNO4/c23-17-7-4-8-18(24)20(17)29-16-11-9-14(10-12-16)13-19(22(27)28)25-21(26)15-5-2-1-3-6-15/h1-13H,(H,25,26)(H,27,28)/b19-13-
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n/an/a 70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against Hepatitis C virus NS5B polymerase


Bioorg Med Chem Lett 15: 2481-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.066
BindingDB Entry DOI: 10.7270/Q2VH5NC7
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50167633
PNG
((Z)-2-[(Adamantane-1-carbonyl)-amino]-3-[4-(2-brom...)
Show SMILES OC(=O)C(\NC(=O)C12CC3CC(CC(C3)C1)C2)=C\c1ccc(Oc2ccccc2Br)cc1
Show InChI InChI=1S/C26H26BrNO4/c27-21-3-1-2-4-23(21)32-20-7-5-16(6-8-20)12-22(24(29)30)28-25(31)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,12,17-19H,9-11,13-15H2,(H,28,31)(H,29,30)/b22-12-
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n/an/a 70n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus


Bioorg Med Chem Lett 15: 2812-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.106
BindingDB Entry DOI: 10.7270/Q26M36C7
More data for this
Ligand-Target Pair
ALK5


(Mus musculus)
BDBM50382323
PNG
(CHEMBL2024690)
Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2nc[nH]c(=O)c2c1
Show InChI InChI=1S/C17H13N5O/c1-11-3-2-4-16(21-11)22-15(7-8-20-22)12-5-6-14-13(9-12)17(23)19-10-18-14/h2-10H,1H3,(H,18,19,23)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50167652
PNG
((Z)-3-[4-(2-Bromo-phenoxy)-phenyl]-2-(2-hydroxy-be...)
Show SMILES OC(=O)C(\NC(=O)c1ccccc1O)=C\c1ccc(Oc2ccccc2Br)cc1
Show InChI InChI=1S/C22H16BrNO5/c23-17-6-2-4-8-20(17)29-15-11-9-14(10-12-15)13-18(22(27)28)24-21(26)16-5-1-3-7-19(16)25/h1-13,25H,(H,24,26)(H,27,28)/b18-13-
UniProtKB/TrEMBL

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n/an/a 80n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus


Bioorg Med Chem Lett 15: 2812-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.106
BindingDB Entry DOI: 10.7270/Q26M36C7
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50167672
PNG
((Z)-3-[4-(2-Bromo-phenoxy)-phenyl]-2-(3-fluoro-ben...)
Show SMILES OC(=O)C(\NC(=O)c1cccc(F)c1)=C\c1ccc(Oc2ccccc2Br)cc1
Show InChI InChI=1S/C22H15BrFNO4/c23-18-6-1-2-7-20(18)29-17-10-8-14(9-11-17)12-19(22(27)28)25-21(26)15-4-3-5-16(24)13-15/h1-13H,(H,25,26)(H,27,28)/b19-12-
UniProtKB/TrEMBL

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n/an/a 90n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus


Bioorg Med Chem Lett 15: 2812-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.106
BindingDB Entry DOI: 10.7270/Q26M36C7
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50167626
PNG
((Z)-2-[(Bicyclo[2.2.1]heptane-2-carbonyl)-amino]-3...)
Show SMILES OC(=O)C(\NC(=O)C1CC2CCC1C2)=C\c1ccc(Oc2ccccc2Br)cc1
Show InChI InChI=1S/C23H22BrNO4/c24-19-3-1-2-4-21(19)29-17-9-6-14(7-10-17)13-20(23(27)28)25-22(26)18-12-15-5-8-16(18)11-15/h1-4,6-7,9-10,13,15-16,18H,5,8,11-12H2,(H,25,26)(H,27,28)/b20-13-
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus


Bioorg Med Chem Lett 15: 2812-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.106
BindingDB Entry DOI: 10.7270/Q26M36C7
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50166405
PNG
((Z)-2-Benzoylamino-3-[4-(2-bromo-phenoxy)-phenyl]-...)
Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2ccccc2Br)cc1
Show InChI InChI=1S/C22H16BrNO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against Hepatitis C virus NS5B polymerase


Bioorg Med Chem Lett 15: 2481-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.066
BindingDB Entry DOI: 10.7270/Q2VH5NC7
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50166405
PNG
((Z)-2-Benzoylamino-3-[4-(2-bromo-phenoxy)-phenyl]-...)
Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2ccccc2Br)cc1
Show InChI InChI=1S/C22H16BrNO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus


Bioorg Med Chem Lett 15: 2812-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.106
BindingDB Entry DOI: 10.7270/Q26M36C7
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50167628
PNG
((Z)-3-[4-(2-Bromo-phenoxy)-phenyl]-2-(4-chloro-ben...)
Show SMILES OC(=O)C(\NC(=O)c1ccc(Cl)cc1)=C\c1ccc(Oc2ccccc2Br)cc1
Show InChI InChI=1S/C22H15BrClNO4/c23-18-3-1-2-4-20(18)29-17-11-5-14(6-12-17)13-19(22(27)28)25-21(26)15-7-9-16(24)10-8-15/h1-13H,(H,25,26)(H,27,28)/b19-13-
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n/an/a 110n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus


Bioorg Med Chem Lett 15: 2812-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.106
BindingDB Entry DOI: 10.7270/Q26M36C7
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50167642
PNG
((Z)-2-(4-Bromo-benzoylamino)-3-[4-(2-bromo-phenoxy...)
Show SMILES OC(=O)C(\NC(=O)c1ccc(Br)cc1)=C\c1ccc(Oc2ccccc2Br)cc1
Show InChI InChI=1S/C22H15Br2NO4/c23-16-9-7-15(8-10-16)21(26)25-19(22(27)28)13-14-5-11-17(12-6-14)29-20-4-2-1-3-18(20)24/h1-13H,(H,25,26)(H,27,28)/b19-13-
UniProtKB/TrEMBL

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PubMed
n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus


Bioorg Med Chem Lett 15: 2812-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.106
BindingDB Entry DOI: 10.7270/Q26M36C7
More data for this
Ligand-Target Pair
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