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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'skalitzky' and Initial = 'dj'   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145214
PNG
(2-(4-((methylamino)methyl)phenyl)-1H-benzo[d]imida...)
Show SMILES CNCc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C16H16N4O/c1-18-9-10-5-7-11(8-6-10)16-19-13-4-2-3-12(15(17)21)14(13)20-16/h2-8,18H,9H2,1H3,(H2,17,21)(H,19,20)
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3.20n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122777
PNG
(1-Phenyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azu...)
Show SMILES O=C1NCCn2c(nc3cccc1c23)-c1ccccc1
Show InChI InChI=1S/C16H13N3O/c20-16-12-7-4-8-13-14(12)19(10-9-17-16)15(18-13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)
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4.10n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122775
PNG
(1-(4-Hydroxymethyl-phenyl)-8,9-dihydro-7H-2,7,9a-t...)
Show SMILES OCc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H15N3O2/c21-10-11-4-6-12(7-5-11)16-19-14-3-1-2-13-15(14)20(16)9-8-18-17(13)22/h1-7,21H,8-10H2,(H,18,22)
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4.20n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145224
PNG
(2-(4-Dimethylaminomethyl-phenyl)-1H-benzoimidazole...)
Show SMILES CN(C)Cc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C17H18N4O/c1-21(2)10-11-6-8-12(9-7-11)17-19-14-5-3-4-13(16(18)22)15(14)20-17/h3-9H,10H2,1-2H3,(H2,18,22)(H,19,20)
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4.5n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145216
PNG
(2-(4-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-phenyl...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CN(CCO)CCO)cc1
Show InChI InChI=1S/C19H22N4O3/c20-18(26)15-2-1-3-16-17(15)22-19(21-16)14-6-4-13(5-7-14)12-23(8-10-24)9-11-25/h1-7,24-25H,8-12H2,(H2,20,26)(H,21,22)
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4.5n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122781
PNG
(1-Naphthalen-1-yl-8,9-dihydro-7H-2,7,9a-triaza-ben...)
Show SMILES O=C1NCCn2c(nc3cccc1c23)-c1cccc2ccccc12
Show InChI InChI=1S/C20H15N3O/c24-20-16-9-4-10-17-18(16)23(12-11-21-20)19(22-17)15-8-3-6-13-5-1-2-7-14(13)15/h1-10H,11-12H2,(H,21,24)
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4.90n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145223
PNG
(2-(3-Dimethylaminomethyl-phenyl)-1H-benzoimidazole...)
Show SMILES CN(C)Cc1cccc(c1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C17H18N4O/c1-21(2)10-11-5-3-6-12(9-11)17-19-14-8-4-7-13(16(18)22)15(14)20-17/h3-9H,10H2,1-2H3,(H2,18,22)(H,19,20)
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5.60n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122779
PNG
(1-(4-Chloro-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-b...)
Show SMILES Clc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C16H12ClN3O/c17-11-6-4-10(5-7-11)15-19-13-3-1-2-12-14(13)20(15)9-8-18-16(12)21/h1-7H,8-9H2,(H,18,21)
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5.70n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122776
PNG
(1-(4-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...)
Show SMILES CN(C)Cc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)
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5.80n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145221
PNG
(2-{4-[(4-Methoxy-benzyl)-methyl-amino]-phenyl}-1H-...)
Show SMILES COc1ccc(CN(C)c2ccc(cc2)-c2nc3c(cccc3[nH]2)C(N)=O)cc1
Show InChI InChI=1S/C23H22N4O2/c1-27(14-15-6-12-18(29-2)13-7-15)17-10-8-16(9-11-17)23-25-20-5-3-4-19(22(24)28)21(20)26-23/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26)
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5.90n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145225
PNG
(2-(4-Pyrrolidin-1-ylmethyl-phenyl)-1H-benzoimidazo...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C19H20N4O/c20-18(24)15-4-3-5-16-17(15)22-19(21-16)14-8-6-13(7-9-14)12-23-10-1-2-11-23/h3-9H,1-2,10-12H2,(H2,20,24)(H,21,22)
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5.90n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122772
PNG
(1-(3-Dimethylaminomethyl-phenyl)-8,9-dihydro-7H-2,...)
Show SMILES CN(C)Cc1cccc(c1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C19H20N4O/c1-22(2)12-13-5-3-6-14(11-13)18-21-16-8-4-7-15-17(16)23(18)10-9-20-19(15)24/h3-8,11H,9-10,12H2,1-2H3,(H,20,24)
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6.30n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145219
PNG
(2-(4-Piperidin-1-ylmethyl-phenyl)-1H-benzoimidazol...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H22N4O/c21-19(25)16-5-4-6-17-18(16)23-20(22-17)15-9-7-14(8-10-15)13-24-11-2-1-3-12-24/h4-10H,1-3,11-13H2,(H2,21,25)(H,22,23)
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7.20n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122774
PNG
(1-(2-Chloro-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-b...)
Show SMILES Clc1ccccc1-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C16H12ClN3O/c17-12-6-2-1-4-10(12)15-19-13-7-3-5-11-14(13)20(15)9-8-18-16(11)21/h1-7H,8-9H2,(H,18,21)
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7.70n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145215
PNG
(2-[4-(4-Methyl-piperazin-1-ylmethyl)-phenyl]-1H-be...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2nc3c(cccc3[nH]2)C(N)=O)CC1
Show InChI InChI=1S/C20H23N5O/c1-24-9-11-25(12-10-24)13-14-5-7-15(8-6-14)20-22-17-4-2-3-16(19(21)26)18(17)23-20/h2-8H,9-13H2,1H3,(H2,21,26)(H,22,23)
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8.70n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122780
PNG
(1-(3-Hydroxymethyl-phenyl)-8,9-dihydro-7H-2,7,9a-t...)
Show SMILES OCc1cccc(c1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H15N3O2/c21-10-11-3-1-4-12(9-11)16-19-14-6-2-5-13-15(14)20(16)8-7-18-17(13)22/h1-6,9,21H,7-8,10H2,(H,18,22)
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8.80n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145222
PNG
(2-[3-(4-Methyl-piperazin-1-ylmethyl)-phenyl]-1H-be...)
Show SMILES CN1CCN(Cc2cccc(c2)-c2nc3c(cccc3[nH]2)C(N)=O)CC1
Show InChI InChI=1S/C20H23N5O/c1-24-8-10-25(11-9-24)13-14-4-2-5-15(12-14)20-22-17-7-3-6-16(19(21)26)18(17)23-20/h2-7,12H,8-11,13H2,1H3,(H2,21,26)(H,22,23)
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9.80n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145220
PNG
(2-(3-Pyrrolidin-1-ylmethyl-phenyl)-1H-benzoimidazo...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1cccc(CN2CCCC2)c1
Show InChI InChI=1S/C19H20N4O/c20-18(24)15-7-4-8-16-17(15)22-19(21-16)14-6-3-5-13(11-14)12-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H2,20,24)(H,21,22)
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10n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122773
PNG
(1-(3-Trifluoromethyl-phenyl)-8,9-dihydro-7H-2,7,9a...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H12F3N3O/c18-17(19,20)11-4-1-3-10(9-11)15-22-13-6-2-5-12-14(13)23(15)8-7-21-16(12)24/h1-6,9H,7-8H2,(H,21,24)
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11.2n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145218
PNG
(2-(3-Piperidin-1-ylmethyl-phenyl)-1H-benzoimidazol...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C20H22N4O/c21-19(25)16-8-5-9-17-18(16)23-20(22-17)15-7-4-6-14(12-15)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H2,21,25)(H,22,23)
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12n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145217
PNG
(2-(4-Morpholin-4-ylmethyl-phenyl)-1H-benzoimidazol...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C19H20N4O2/c20-18(24)15-2-1-3-16-17(15)22-19(21-16)14-6-4-13(5-7-14)12-23-8-10-25-11-9-23/h1-7H,8-12H2,(H2,20,24)(H,21,22)
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12n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27091
PNG
(2-phenyl-1H-1,3-benzodiazole-4-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
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15n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145212
PNG
(2-(3-Morpholin-4-ylmethyl-phenyl)-1H-benzoimidazol...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C19H20N4O2/c20-18(24)15-5-2-6-16-17(15)22-19(21-16)14-4-1-3-13(11-14)12-23-7-9-25-10-8-23/h1-6,11H,7-10,12H2,(H2,20,24)(H,21,22)
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31n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50122778
PNG
(1-Methyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azu...)
Show SMILES Cc1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C11H11N3O/c1-7-13-9-4-2-3-8-10(9)14(7)6-5-12-11(8)15/h2-4H,5-6H2,1H3,(H,12,15)
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45n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145213
PNG
(2-(3-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-phenyl...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1cccc(CN(CCO)CCO)c1
Show InChI InChI=1S/C19H22N4O3/c20-18(26)15-5-2-6-16-17(15)22-19(21-16)14-4-1-3-13(11-14)12-23(7-9-24)8-10-25/h1-6,11,24-25H,7-10,12H2,(H2,20,26)(H,21,22)
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272n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27506
PNG
(3-AB | 3-aminobenzamide | CHEMBL81977)
Show SMILES NC(=O)c1cccc(N)c1
Show InChI InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
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3.10E+3n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112651
PNG
(4-[(6-Chloro-2H-chromene-3-carbonyl)-amino]-5-(2-o...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)C1=Cc2cc(Cl)ccc2OC1
Show InChI InChI=1S/C21H23ClN2O5/c1-2-28-19(25)6-4-17(11-13-7-8-23-20(13)26)24-21(27)15-9-14-10-16(22)3-5-18(14)29-12-15/h3-6,9-10,13,17H,2,7-8,11-12H2,1H3,(H,23,26)(H,24,27)/b6-4+/t13-,17+/m0/s1
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n/an/an/an/a 460n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
50% effective concentration required to inhibit Human Rhinovirus 10 Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112653
PNG
(4-[(2H-Chromene-3-carbonyl)-amino]-5-(2-oxo-pyrrol...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)C1=Cc2ccccc2OC1
Show InChI InChI=1S/C21H24N2O5/c1-2-27-19(24)8-7-17(12-15-9-10-22-20(15)25)23-21(26)16-11-14-5-3-4-6-18(14)28-13-16/h3-8,11,15,17H,2,9-10,12-13H2,1H3,(H,22,25)(H,23,26)/b8-7+/t15-,17+/m0/s1
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n/an/an/an/a 1.19E+3n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112649
PNG
(4-[(7-Bromo-naphthalene-2-carbonyl)-amino]-5-(2-ox...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)c1ccc2ccc(Br)cc2c1
Show InChI InChI=1S/C22H23BrN2O4/c1-2-29-20(26)8-7-19(13-16-9-10-24-21(16)27)25-22(28)15-4-3-14-5-6-18(23)12-17(14)11-15/h3-8,11-12,16,19H,2,9-10,13H2,1H3,(H,24,27)(H,25,28)/b8-7+/t16-,19+/m0/s1
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n/an/an/an/a 180n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112654
PNG
(4-[(2-Methyl-5-phenyl-furan-3-carbonyl)-amino]-5-(...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)c1cc(oc1C)-c1ccccc1
Show InChI InChI=1S/C23H26N2O5/c1-3-29-21(26)10-9-18(13-17-11-12-24-22(17)27)25-23(28)19-14-20(30-15(19)2)16-7-5-4-6-8-16/h4-10,14,17-18H,3,11-13H2,1-2H3,(H,24,27)(H,25,28)/b10-9+/t17-,18+/m0/s1
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n/an/an/an/a 1.94E+3n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112656
PNG
(4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H42N4O7/c1-4-42-29(38)18-16-25(15-17-28(33)37)34-30(39)27(20-23-11-7-5-8-12-23)35-31(40)26(19-22(2)3)36-32(41)43-21-24-13-9-6-10-14-24/h5-14,16,18,22,25-27H,4,15,17,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)(H,36,41)/b18-16+/t25-,26-,27?/m0/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
50% effective concentration required to inhibit Human Rhinovirus 2 Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112648
PNG
(4-(3-Benzo[1,3]dioxol-5-yl-acryloylamino)-5-(2-oxo...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C21H24N2O6/c1-2-27-20(25)8-5-16(12-15-9-10-22-21(15)26)23-19(24)7-4-14-3-6-17-18(11-14)29-13-28-17/h3-8,11,15-16H,2,9-10,12-13H2,1H3,(H,22,26)(H,23,24)/b7-4+,8-5+/t15-,16+/m0/s1
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n/an/an/an/a 1.81E+3n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112651
PNG
(4-[(6-Chloro-2H-chromene-3-carbonyl)-amino]-5-(2-o...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)C1=Cc2cc(Cl)ccc2OC1
Show InChI InChI=1S/C21H23ClN2O5/c1-2-28-19(25)6-4-17(11-13-7-8-23-20(13)26)24-21(27)15-9-14-10-16(22)3-5-18(14)29-12-15/h3-6,9-10,13,17H,2,7-8,11-12H2,1H3,(H,23,26)(H,24,27)/b6-4+/t13-,17+/m0/s1
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n/an/an/an/a 650n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
50% effective concentration required to inhibit Human Rhinovirus 2 Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112652
PNG
(4-[3-(3-Bromo-4-fluoro-phenyl)-acryloylamino]-5-(2...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)\C=C\c1ccc(F)c(Br)c1
Show InChI InChI=1S/C20H22BrFN2O4/c1-2-28-19(26)8-5-15(12-14-9-10-23-20(14)27)24-18(25)7-4-13-3-6-17(22)16(21)11-13/h3-8,11,14-15H,2,9-10,12H2,1H3,(H,23,27)(H,24,25)/b7-4+,8-5+/t14-,15+/m0/s1
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n/an/an/an/a 630n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112655
PNG
(4-[(Naphthalene-2-carbonyl)-amino]-5-(2-oxo-pyrrol...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H24N2O4/c1-2-28-20(25)10-9-19(14-18-11-12-23-21(18)26)24-22(27)17-8-7-15-5-3-4-6-16(15)13-17/h3-10,13,18-19H,2,11-12,14H2,1H3,(H,23,26)(H,24,27)/b10-9+/t18-,19+/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
50% effective concentration required to inhibit Human Rhinovirus 2 Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112656
PNG
(4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H42N4O7/c1-4-42-29(38)18-16-25(15-17-28(33)37)34-30(39)27(20-23-11-7-5-8-12-23)35-31(40)26(19-22(2)3)36-32(41)43-21-24-13-9-6-10-14-24/h5-14,16,18,22,25-27H,4,15,17,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)(H,36,41)/b18-16+/t25-,26-,27?/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
50% effective concentration required to inhibit Human Rhinovirus 10 Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112656
PNG
(4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H42N4O7/c1-4-42-29(38)18-16-25(15-17-28(33)37)34-30(39)27(20-23-11-7-5-8-12-23)35-31(40)26(19-22(2)3)36-32(41)43-21-24-13-9-6-10-14-24/h5-14,16,18,22,25-27H,4,15,17,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)(H,36,41)/b18-16+/t25-,26-,27?/m0/s1
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n/an/an/an/a 6.30E+3n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
50% effective concentration required to inhibit Human Rhinovirus 89 Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112651
PNG
(4-[(6-Chloro-2H-chromene-3-carbonyl)-amino]-5-(2-o...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)C1=Cc2cc(Cl)ccc2OC1
Show InChI InChI=1S/C21H23ClN2O5/c1-2-28-19(25)6-4-17(11-13-7-8-23-20(13)26)24-21(27)15-9-14-10-16(22)3-5-18(14)29-12-15/h3-6,9-10,13,17H,2,7-8,11-12H2,1H3,(H,23,26)(H,24,27)/b6-4+/t13-,17+/m0/s1
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n/an/an/an/a 5.10E+3n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
50% effective concentration required to inhibit Human Rhinovirus 1A Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112650
PNG
(4-[(6-Bromo-2H-chromene-3-carbonyl)-amino]-5-(2-ox...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)C1=Cc2cc(Br)ccc2OC1
Show InChI InChI=1S/C21H23BrN2O5/c1-2-28-19(25)6-4-17(11-13-7-8-23-20(13)26)24-21(27)15-9-14-10-16(22)3-5-18(14)29-12-15/h3-6,9-10,13,17H,2,7-8,11-12H2,1H3,(H,23,26)(H,24,27)/b6-4+/t13-,17+/m0/s1
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n/an/an/an/a 180n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112655
PNG
(4-[(Naphthalene-2-carbonyl)-amino]-5-(2-oxo-pyrrol...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H24N2O4/c1-2-28-20(25)10-9-19(14-18-11-12-23-21(18)26)24-22(27)17-8-7-15-5-3-4-6-16(15)13-17/h3-10,13,18-19H,2,11-12,14H2,1H3,(H,23,26)(H,24,27)/b10-9+/t18-,19+/m0/s1
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n/an/an/an/a 150n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112657
PNG
(4-[3-(3-Bromo-phenyl)-acryloylamino]-5-(2-oxo-pyrr...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)\C=C\c1cccc(Br)c1
Show InChI InChI=1S/C20H23BrN2O4/c1-2-27-19(25)9-7-17(13-15-10-11-22-20(15)26)23-18(24)8-6-14-4-3-5-16(21)12-14/h3-9,12,15,17H,2,10-11,13H2,1H3,(H,22,26)(H,23,24)/b8-6+,9-7+/t15-,17+/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112659
PNG
(4-[3-(3-Bromo-4-methyl-phenyl)-acryloylamino]-5-(2...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)\C=C\c1ccc(C)c(Br)c1
Show InChI InChI=1S/C21H25BrN2O4/c1-3-28-20(26)9-7-17(13-16-10-11-23-21(16)27)24-19(25)8-6-15-5-4-14(2)18(22)12-15/h4-9,12,16-17H,3,10-11,13H2,1-2H3,(H,23,27)(H,24,25)/b8-6+,9-7+/t16-,17+/m0/s1
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n/an/an/an/a 1.29E+3n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112656
PNG
(4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H42N4O7/c1-4-42-29(38)18-16-25(15-17-28(33)37)34-30(39)27(20-23-11-7-5-8-12-23)35-31(40)26(19-22(2)3)36-32(41)43-21-24-13-9-6-10-14-24/h5-14,16,18,22,25-27H,4,15,17,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)(H,36,41)/b18-16+/t25-,26-,27?/m0/s1
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n/an/an/an/a 540n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112647
PNG
(4-[(6-Methyl-naphthalene-2-carbonyl)-amino]-5-(2-o...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)c1ccc2cc(C)ccc2c1
Show InChI InChI=1S/C23H26N2O4/c1-3-29-21(26)9-8-20(14-19-10-11-24-22(19)27)25-23(28)18-7-6-16-12-15(2)4-5-17(16)13-18/h4-9,12-13,19-20H,3,10-11,14H2,1-2H3,(H,24,27)(H,25,28)/b9-8+/t19-,20+/m0/s1
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n/an/an/an/a 880n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112656
PNG
(4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H42N4O7/c1-4-42-29(38)18-16-25(15-17-28(33)37)34-30(39)27(20-23-11-7-5-8-12-23)35-31(40)26(19-22(2)3)36-32(41)43-21-24-13-9-6-10-14-24/h5-14,16,18,22,25-27H,4,15,17,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)(H,36,41)/b18-16+/t25-,26-,27?/m0/s1
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n/an/an/an/a 2.30E+3n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
50% effective concentration required to inhibit Human Rhinovirus 16 Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112651
PNG
(4-[(6-Chloro-2H-chromene-3-carbonyl)-amino]-5-(2-o...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)C1=Cc2cc(Cl)ccc2OC1
Show InChI InChI=1S/C21H23ClN2O5/c1-2-28-19(25)6-4-17(11-13-7-8-23-20(13)26)24-21(27)15-9-14-10-16(22)3-5-18(14)29-12-15/h3-6,9-10,13,17H,2,7-8,11-12H2,1H3,(H,23,26)(H,24,27)/b6-4+/t13-,17+/m0/s1
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n/an/an/an/a 160n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112650
PNG
(4-[(6-Bromo-2H-chromene-3-carbonyl)-amino]-5-(2-ox...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)C1=Cc2cc(Br)ccc2OC1
Show InChI InChI=1S/C21H23BrN2O5/c1-2-28-19(25)6-4-17(11-13-7-8-23-20(13)26)24-21(27)15-9-14-10-16(22)3-5-18(14)29-12-15/h3-6,9-10,13,17H,2,7-8,11-12H2,1H3,(H,23,26)(H,24,27)/b6-4+/t13-,17+/m0/s1
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n/an/an/an/a 550n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
50% effective concentration required to inhibit Human Rhinovirus 10 Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112658
PNG
(4-[3-(6-Bromo-benzo[1,3]dioxol-5-yl)-acryloylamino...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)\C=C\c1cc2OCOc2cc1Br
Show InChI InChI=1S/C21H23BrN2O6/c1-2-28-20(26)6-4-15(9-14-7-8-23-21(14)27)24-19(25)5-3-13-10-17-18(11-16(13)22)30-12-29-17/h3-6,10-11,14-15H,2,7-9,12H2,1H3,(H,23,27)(H,24,25)/b5-3+,6-4+/t14-,15+/m0/s1
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n/an/an/an/a 490n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


Article DOI: 10.1021/jm010435c
BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair