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Compile Data Set for Download or QSAR

Found 586 hits with Last Name = 'wiles' and Initial = 'ja'   
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
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50178922
PNG
(7-(4-(aminomethyl)phenyl)-9-cyclopropyl-6-fluorois...)
Show SMILES NCc1ccc(cc1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C20H16FN3O2S/c21-15-7-14-16(8-13(15)11-3-1-10(9-22)2-4-11)24(12-5-6-12)20-17(18(14)25)19(26)23-27-20/h1-4,7-8,12H,5-6,9,22H2,(H,23,26)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50178928
PNG
(7-(3-(aminomethyl)phenyl)-9-cyclopropyl-6-fluorois...)
Show SMILES NCc1cccc(c1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C20H16FN3O2S/c21-15-7-14-16(8-13(15)11-3-1-2-10(6-11)9-22)24(12-4-5-12)20-17(18(14)25)19(26)23-27-20/h1-3,6-8,12H,4-5,9,22H2,(H,23,26)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50178926
PNG
(9-cyclopropyl-6-fluoro-7-(piperazin-1-yl)isothiazo...)
Show SMILES Fc1cc2c(cc1N1CCNCC1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C17H17FN4O2S/c18-11-7-10-12(8-13(11)21-5-3-19-4-6-21)22(9-1-2-9)17-14(15(10)23)16(24)20-25-17/h7-9,19H,1-6H2,(H,20,24)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50180009
PNG
(7-(2,6-dimethylpyridin-4-yl)-9-ethyl-1-thia-2,4a-d...)
Show SMILES CCc1c2s[nH]c(=O)c2c(=O)n2ccc(cc12)-c1cc(C)nc(C)c1
Show InChI InChI=1S/C19H17N3O2S/c1-4-14-15-9-12(13-7-10(2)20-11(3)8-13)5-6-22(15)19(24)16-17(14)25-21-18(16)23/h5-9H,4H2,1-3H3,(H,21,23)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli ATCC 25922


J Med Chem 49: 39-42 (2006)


Article DOI: 10.1021/jm051066d
BindingDB Entry DOI: 10.7270/Q24B30W3
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50178924
PNG
(9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)isothiaz...)
Show SMILES Oc1cccc(c1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C19H13FN2O3S/c20-14-7-13-15(8-12(14)9-2-1-3-11(23)6-9)22(10-4-5-10)19-16(17(13)24)18(25)21-26-19/h1-3,6-8,10,23H,4-5H2,(H,21,25)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178928
PNG
(7-(3-(aminomethyl)phenyl)-9-cyclopropyl-6-fluorois...)
Show SMILES NCc1cccc(c1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C20H16FN3O2S/c21-15-7-14-16(8-13(15)11-3-1-2-10(6-11)9-22)24(12-4-5-12)20-17(18(14)25)19(26)23-27-20/h1-3,6-8,12H,4-5,9,22H2,(H,23,26)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli ATCC 25922


J Med Chem 49: 39-42 (2006)


Article DOI: 10.1021/jm051066d
BindingDB Entry DOI: 10.7270/Q24B30W3
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178917
PNG
((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...)
Show SMILES CO\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1
Show InChI InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50178919
PNG
(7-(4-aminophenyl)-9-cyclopropyl-6-fluoroisothiazol...)
Show SMILES Nc1ccc(cc1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C19H14FN3O2S/c20-14-7-13-15(8-12(14)9-1-3-10(21)4-2-9)23(11-5-6-11)19-16(17(13)24)18(25)22-26-19/h1-4,7-8,11H,5-6,21H2,(H,22,25)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50178923
PNG
(7-(3-amino-4-fluorophenyl)-9-cyclopropyl-6-fluoroi...)
Show SMILES Nc1cc(ccc1F)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C19H13F2N3O2S/c20-12-4-1-8(5-14(12)22)10-7-15-11(6-13(10)21)17(25)16-18(26)23-27-19(16)24(15)9-2-3-9/h1,4-7,9H,2-3,22H2,(H,23,26)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50131428
PNG
(1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahy...)
Show SMILES COc1c(N2CC3CCCNC3C2)c(F)cc2C(=O)C(CN(C3CC3)c12)C(O)=O
Show InChI InChI=1S/C21H26FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,11-12,14,16,23H,2-6,8-10H2,1H3,(H,27,28)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50180011
PNG
(9-ethyl-7-pyridin-4-yl-1-thia-2,4a-diaza-cyclopent...)
Show SMILES CCc1c2s[nH]c(=O)c2c(=O)n2ccc(cc12)-c1ccncc1
Show InChI InChI=1S/C17H13N3O2S/c1-2-12-13-9-11(10-3-6-18-7-4-10)5-8-20(13)17(22)14-15(12)23-19-16(14)21/h3-9H,2H2,1H3,(H,19,21)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli ATCC 25922


J Med Chem 49: 39-42 (2006)


Article DOI: 10.1021/jm051066d
BindingDB Entry DOI: 10.7270/Q24B30W3
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178912
PNG
(9-cyclopropyl-6-fluoro-7-(pyridin-3-yl)isothiazolo...)
Show SMILES Fc1cc2c(cc1-c1cccnc1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C18H12FN3O2S/c19-13-6-12-14(7-11(13)9-2-1-5-20-8-9)22(10-3-4-10)18-15(16(12)23)17(24)21-25-18/h1-2,5-8,10H,3-4H2,(H,21,24)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178926
PNG
(9-cyclopropyl-6-fluoro-7-(piperazin-1-yl)isothiazo...)
Show SMILES Fc1cc2c(cc1N1CCNCC1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C17H17FN4O2S/c18-11-7-10-12(8-13(11)21-5-3-19-4-6-21)22(9-1-2-9)17-14(15(10)23)16(24)20-25-17/h7-9,19H,1-6H2,(H,20,24)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50178917
PNG
((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...)
Show SMILES CO\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1
Show InChI InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50117914
PNG
(1-Cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-7-(3-...)
Show SMILES COc1c(N2CCNC(C)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50178918
PNG
(9-cyclopropyl-6-fluoro-7-(3-(hydroxymethyl)phenyl)...)
Show SMILES OCc1cccc(c1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C20H15FN2O3S/c21-15-7-14-16(8-13(15)11-3-1-2-10(6-11)9-24)23(12-4-5-12)20-17(18(14)25)19(26)22-27-20/h1-3,6-8,12,24H,4-5,9H2,(H,22,26)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli ATCC 25922


J Med Chem 49: 39-42 (2006)


Article DOI: 10.1021/jm051066d
BindingDB Entry DOI: 10.7270/Q24B30W3
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178913
PNG
(7-(6-(aminomethyl)pyridin-3-yl)-9-cyclopropyl-6-fl...)
Show SMILES NCc1ccc(cn1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C19H15FN4O2S/c20-14-5-13-15(6-12(14)9-1-2-10(7-21)22-8-9)24(11-3-4-11)19-16(17(13)25)18(26)23-27-19/h1-2,5-6,8,11H,3-4,7,21H2,(H,23,26)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50178925
PNG
(9-cyclopropyl-6-fluoro-7-(3-(piperidin-2-yl)phenyl...)
Show SMILES Fc1cc2c(cc1-c1cccc(c1)C1CCCCN1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C24H22FN3O2S/c25-18-11-17-20(28(15-7-8-15)24-21(22(17)29)23(30)27-31-24)12-16(18)13-4-3-5-14(10-13)19-6-1-2-9-26-19/h3-5,10-12,15,19,26H,1-2,6-9H2,(H,27,30)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50131428
PNG
(1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahy...)
Show SMILES COc1c(N2CC3CCCNC3C2)c(F)cc2C(=O)C(CN(C3CC3)c12)C(O)=O
Show InChI InChI=1S/C21H26FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,11-12,14,16,23H,2-6,8-10H2,1H3,(H,27,28)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50178921
PNG
(9-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)isothiaz...)
Show SMILES Oc1ccc(cc1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C19H13FN2O3S/c20-14-7-13-15(8-12(14)9-1-5-11(23)6-2-9)22(10-3-4-10)19-16(17(13)24)18(25)21-26-19/h1-2,5-8,10,23H,3-4H2,(H,21,25)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50131428
PNG
(1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahy...)
Show SMILES COc1c(N2CC3CCCNC3C2)c(F)cc2C(=O)C(CN(C3CC3)c12)C(O)=O
Show InChI InChI=1S/C21H26FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,11-12,14,16,23H,2-6,8-10H2,1H3,(H,27,28)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50178916
PNG
(9-cyclopropyl-6-fluoro-7-(4-(hydroxymethyl)phenyl)...)
Show SMILES OCc1ccc(cc1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C20H15FN2O3S/c21-15-7-14-16(8-13(15)11-3-1-10(9-24)2-4-11)23(12-5-6-12)20-17(18(14)25)19(26)22-27-20/h1-4,7-8,12,24H,5-6,9H2,(H,22,26)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Escherichia coli gyrase


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354270
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-hydroxypyrimidin- 5-y...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(O)nc1
Show InChI InChI=1S/C33H26ClF2N5O4/c1-18(42)25-16-40(28-10-9-19(11-24(25)28)20-13-37-33(45)38-14-20)17-30(43)41-15-21(35)12-29(41)32(44)39-27-8-4-6-23(31(27)36)22-5-2-3-7-26(22)34/h2-11,13-14,16,21,29H,12,15,17H2,1H3,(H,39,44)(H,37,38,45)/t21-,29+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354271
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-(2- methoxyethylamino...)
Show SMILES COCCNc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c2c1
Show InChI InChI=1S/C36H33ClF2N6O4/c1-21(46)28-19-44(31-11-10-22(14-27(28)31)23-16-41-36(42-17-23)40-12-13-49-2)20-33(47)45-18-24(38)15-32(45)35(48)43-30-9-5-7-26(34(30)39)25-6-3-4-8-29(25)37/h3-11,14,16-17,19,24,32H,12-13,15,18,20H2,1-2H3,(H,43,48)(H,40,41,42)/t24-,32+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354272
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-(methylamino) pyrimid...)
Show SMILES CNc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c2c1
Show InChI InChI=1S/C34H29ClF2N6O3/c1-19(44)26-17-42(29-11-10-20(12-25(26)29)21-14-39-34(38-2)40-15-21)18-31(45)43-16-22(36)13-30(43)33(46)41-28-9-5-7-24(32(28)37)23-6-3-4-8-27(23)35/h3-12,14-15,17,22,30H,13,16,18H2,1-2H3,(H,41,46)(H,38,39,40)/t22-,30+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM351994
PNG
(1-(2-((lR,3S,5R)-3-(2'- chloro-2- fluorobiphenyl-3...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1ccc(F)nc1
Show InChI InChI=1S/C33H25ClF2N6O3/c34-23-6-2-1-4-20(23)21-5-3-7-24(30(21)36)39-33(45)27-14-19-13-26(19)42(27)29(43)16-41-25-10-8-17(18-9-11-28(35)38-15-18)12-22(25)31(40-41)32(37)44/h1-12,15,19,26-27H,13-14,16H2,(H2,37,44)(H,39,45)/t19-,26-,27+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM351995
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyrimidin-5-yl)-1H- ind...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C26H22BrFN6O3/c1-15(35)20-12-33(21-6-5-16(7-19(20)21)17-9-29-14-30-10-17)13-25(36)34-11-18(28)8-22(34)26(37)32-24-4-2-3-23(27)31-24/h2-7,9-10,12,14,18,22H,8,11,13H2,1H3,(H,31,32,37)/t18-,22+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM351996
PNG
((1R,3S,5R)-2-(2-(3- acetyl-5-(pyrimidin-5- yl)-1H-...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C34H27ClFN5O3/c1-19(42)26-16-40(29-10-9-20(11-25(26)29)22-14-37-18-38-15-22)17-32(43)41-30-12-21(30)13-31(41)34(44)39-28-8-4-6-24(33(28)36)23-5-2-3-7-27(23)35/h2-11,14-16,18,21,30-31H,12-13,17H2,1H3,(H,39,44)/t21-,30-,31+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM351997
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(4-acetylpiperazin-1- yl...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c2c1
Show InChI InChI=1S/C35H34ClF2N5O4/c1-21(44)28-19-42(31-11-10-24(17-27(28)31)41-14-12-40(13-15-41)22(2)45)20-33(46)43-18-23(37)16-32(43)35(47)39-30-9-5-7-26(34(30)38)25-6-3-4-8-29(25)36/h3-11,17,19,23,32H,12-16,18,20H2,1-2H3,(H,39,47)/t23-,32+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM351998
PNG
((1R,3S,5R)-2-(2-(3- acetyl-5-(pyrimidin-5- yl)-1H-...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C27H23BrN6O3/c1-15(35)20-12-33(21-6-5-16(7-19(20)21)18-10-29-14-30-11-18)13-26(36)34-22-8-17(22)9-23(34)27(37)32-25-4-2-3-24(28)31-25/h2-7,10-12,14,17,22-23H,8-9,13H2,1H3,(H,31,32,37)/t17-,22-,23+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM351999
PNG
(1-(2-((2S,4R)-2-(3- chloro-2- fluorobenzylcarbamoy...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnc(cc12)-c1cncnc1
Show InChI InChI=1S/C25H21ClF2N8O3/c26-17-3-1-2-13(22(17)28)8-33-25(39)19-4-15(27)10-35(19)21(37)11-36-20-9-32-18(14-6-30-12-31-7-14)5-16(20)23(34-36)24(29)38/h1-3,5-7,9,12,15,19H,4,8,10-11H2,(H2,29,38)(H,33,39)/t15-,19+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352000
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2- fluorobiphenyl-3- y...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2cnc(cc12)-c1cncnc1
Show InChI InChI=1S/C30H23ClF2N8O3/c31-21-6-2-1-4-18(21)19-5-3-7-22(27(19)33)38-30(44)24-8-17(32)13-40(24)26(42)14-41-25-12-37-23(16-10-35-15-36-11-16)9-20(25)28(39-41)29(34)43/h1-7,9-12,15,17,24H,8,13-14H2,(H2,34,43)(H,38,44)/t17-,24+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352001
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C33H26ClF2N5O3/c1-19(42)26-17-40(29-10-9-20(13-25(26)29)21-11-12-37-38-15-21)18-31(43)41-16-22(35)14-30(41)33(44)39-28-8-4-6-24(32(28)36)23-5-2-3-7-27(23)34/h2-13,15,17,22,30H,14,16,18H2,1H3,(H,39,44)/t22-,30+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352002
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2- methoxypyrimidin-5- ...)
Show SMILES COc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(Br)n3)cc(C(C)=O)c2c1
Show InChI InChI=1S/C27H24BrFN6O4/c1-15(36)20-13-34(21-7-6-16(8-19(20)21)17-10-30-27(39-2)31-11-17)14-25(37)35-12-18(29)9-22(35)26(38)33-24-5-3-4-23(28)32-24/h3-8,10-11,13,18,22H,9,12,14H2,1-2H3,(H,32,33,38)/t18-,22+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352003
PNG
(1-(2-((2S,4R)-2-(6- bromopyridin-2- ylcarbamoyl)-4...)
Show SMILES CN1CCC(=CC1)c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(Br)n3)nc(C(N)=O)c2c1
Show InChI InChI=1S/C26H27BrFN7O3/c1-33-9-7-15(8-10-33)16-5-6-19-18(11-16)24(25(29)37)32-35(19)14-23(36)34-13-17(28)12-20(34)26(38)31-22-4-2-3-21(27)30-22/h2-7,11,17,20H,8-10,12-14H2,1H3,(H2,29,37)(H,30,31,38)/t17-,20+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352004
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H22ClFN6O3/c1-15(35)20-13-33(21-6-5-16(9-19(20)21)17-7-8-29-30-11-17)14-25(36)34-12-18(28)10-22(34)26(37)32-24-4-2-3-23(27)31-24/h2-9,11,13,18,22H,10,12,14H2,1H3,(H,31,32,37)/t18-,22+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352005
PNG
(1-(2-((2S,4R)-2-(6- chloropyridin-2- ylcarbamoyl)-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C24H20ClFN8O3/c25-19-2-1-3-20(30-19)31-24(37)18-9-15(26)11-33(18)21(35)12-34-17-5-4-13(14-6-7-28-29-10-14)8-16(17)22(32-34)23(27)36/h1-8,10,15,18H,9,11-12H2,(H2,27,36)(H,30,31,37)/t15-,18+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352006
PNG
(1-(2-((2S,4R)-2-(6- bromopyridin-2- ylcarbamoyl)-4...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C24H20BrFN8O3/c25-19-2-1-3-20(30-19)31-24(37)18-9-15(26)11-33(18)21(35)12-34-17-5-4-13(14-6-7-28-29-10-14)8-16(17)22(32-34)23(27)36/h1-8,10,15,18H,9,11-12H2,(H2,27,36)(H,30,31,37)/t15-,18+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352007
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-(pyrrolidin-1- yl)pyr...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(nc1)N1CCCC1
Show InChI InChI=1S/C37H33ClF2N6O3/c1-22(47)29-20-45(32-12-11-23(15-28(29)32)24-17-41-37(42-18-24)44-13-4-5-14-44)21-34(48)46-19-25(39)16-33(46)36(49)43-31-10-6-8-27(35(31)40)26-7-2-3-9-30(26)38/h2-3,6-12,15,17-18,20,25,33H,4-5,13-14,16,19,21H2,1H3,(H,43,49)/t25-,33+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352010
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2- methoxypyrimidin-5- ...)
Show SMILES COc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c2c1
Show InChI InChI=1S/C34H28ClF2N5O4/c1-19(43)26-17-41(29-11-10-20(12-25(26)29)21-14-38-34(46-2)39-15-21)18-31(44)42-16-22(36)13-30(42)33(45)40-28-9-5-7-24(32(28)37)23-6-3-4-8-27(23)35/h3-12,14-15,17,22,30H,13,16,18H2,1-2H3,(H,40,45)/t22-,30+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352091
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(1-acetyl-1,2,3,6- tetra...)
Show SMILES CC(=O)N1CCC(=CC1)c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(N)=O)c2c1
Show InChI InChI=1S/C35H32ClF2N5O4/c1-20(44)41-13-11-21(12-14-41)22-9-10-30-26(15-22)27(34(39)46)18-42(30)19-32(45)43-17-23(37)16-31(43)35(47)40-29-8-4-6-25(33(29)38)24-5-2-3-7-28(24)36/h2-11,15,18,23,31H,12-14,16-17,19H2,1H3,(H2,39,46)(H,40,47)/t23-,31+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352377
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2- fluorobiphenyl-3- y...)
Show SMILES COc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(N)=O)c2c1
Show InChI InChI=1S/C33H27ClF2N6O4/c1-46-33-38-13-19(14-39-33)18-9-10-27-23(11-18)24(31(37)44)16-41(27)17-29(43)42-15-20(35)12-28(42)32(45)40-26-8-4-6-22(30(26)36)21-5-2-3-7-25(21)34/h2-11,13-14,16,20,28H,12,15,17H2,1H3,(H2,37,44)(H,40,45)/t20-,28+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352378
PNG
(1-(2-((2S,4R)-2-(6- chloropyridin-2- ylcarbamoyl)-...)
Show SMILES COc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(Cl)n3)nc(C(N)=O)c2c1
Show InChI InChI=1S/C25H22ClFN8O4/c1-39-25-29-9-14(10-30-25)13-5-6-17-16(7-13)22(23(28)37)33-35(17)12-21(36)34-11-15(27)8-18(34)24(38)32-20-4-2-3-19(26)31-20/h2-7,9-10,15,18H,8,11-12H2,1H3,(H2,28,37)(H,31,32,38)/t15-,18+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352379
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(4-(pyrimidin-2- yl)pipe...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C37H34ClF2N7O3/c1-23(48)29-21-46(32-11-10-25(19-28(29)32)44-14-16-45(17-15-44)37-41-12-5-13-42-37)22-34(49)47-20-24(39)18-33(47)36(50)43-31-9-4-7-27(35(31)40)26-6-2-3-8-30(26)38/h2-13,19,21,24,33H,14-18,20,22H2,1H3,(H,43,50)/t24-,33+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352488
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(4-(5- fluoropyrimidin-2...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)N1CCN(CC1)c1ncc(F)cn1
Show InChI InChI=1S/C37H33ClF3N7O3/c1-22(49)29-20-47(32-10-9-25(16-28(29)32)45-11-13-46(14-12-45)37-42-17-24(40)18-43-37)21-34(50)48-19-23(39)15-33(48)36(51)44-31-8-4-6-27(35(31)41)26-5-2-3-7-30(26)38/h2-10,16-18,20,23,33H,11-15,19,21H2,1H3,(H,44,51)/t23-,33+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM353069
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(4-(methylsulfonyl) pipe...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C34H34ClF2N5O5S/c1-21(43)27-19-40(30-11-10-23(17-26(27)30)39-12-14-41(15-13-39)48(2,46)47)20-32(44)42-18-22(36)16-31(42)34(45)38-29-9-5-7-25(33(29)37)24-6-3-4-8-28(24)35/h3-11,17,19,22,31H,12-16,18,20H2,1-2H3,(H,38,45)/t22-,31+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM353441
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2ccccn2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C27H25FN6O3/c1-17(35)23-15-33(24-6-5-18(10-22(23)24)19-7-9-31-32-12-19)16-26(36)34-14-20(28)11-25(34)27(37)30-13-21-4-2-3-8-29-21/h2-10,12,15,20,25H,11,13-14,16H2,1H3,(H,30,37)/t20-,25+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9796741 (2017)

More data for this
Ligand-Target Pair
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