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Compile Data Set for Download or QSAR

Found 145 hits from Achillion Pharmaceuticals, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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n/an/a 700n/an/an/an/an/an/a



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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n/an/a 700n/an/an/an/an/an/a



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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n/an/a 800n/an/an/an/an/an/a



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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n/an/a 800n/an/an/an/an/an/a



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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n/an/a 800n/an/an/an/an/an/a



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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n/an/a 900n/an/an/an/an/an/a



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
Factor D


(Homo sapiens (Human))
BDBM109055
PNG
(US9695205, 1)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NC3CC3)cc12
Show InChI InChI=1S/C28H28ClF2N5O4/c1-15(37)21-13-35(23-8-7-19(10-20(21)23)34-28(40)33-18-5-6-18)14-25(38)36-12-17(30)9-24(36)27(39)32-11-16-3-2-4-22(29)26(16)31/h2-4,7-8,10,13,17-18,24H,5-6,9,11-12,14H2,1H3,(H,32,39)(H2,33,34,40)/t17-,24+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109056
PNG
(US9695205, 2)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NCc3nn[nH]n3)cc12
Show InChI InChI=1S/C27H26ClF2N9O4/c1-14(40)19-12-38(21-6-5-17(8-18(19)21)33-27(43)32-10-23-34-36-37-35-23)13-24(41)39-11-16(29)7-22(39)26(42)31-9-15-3-2-4-20(28)25(15)30/h2-6,8,12,16,22H,7,9-11,13H2,1H3,(H,31,42)(H2,32,33,43)(H,34,35,36,37)/t16-,22+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109057
PNG
(US9695205, 3)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NC3CC3)cc12
Show InChI InChI=1S/C29H29ClFN5O4/c1-15(37)21-13-35(23-8-7-19(11-20(21)23)34-29(40)33-18-5-6-18)14-26(38)36-24-9-17(24)10-25(36)28(39)32-12-16-3-2-4-22(30)27(16)31/h2-4,7-8,11,13,17-18,24-25H,5-6,9-10,12,14H2,1H3,(H,32,39)(H2,33,34,40)/t17-,24-,25+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109058
PNG
(US9695205, 4)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NC3(C)CC3)cc12
Show InChI InChI=1S/C29H30ClF2N5O4/c1-16(38)21-14-36(23-7-6-19(11-20(21)23)34-28(41)35-29(2)8-9-29)15-25(39)37-13-18(31)10-24(37)27(40)33-12-17-4-3-5-22(30)26(17)32/h3-7,11,14,18,24H,8-10,12-13,15H2,1-2H3,(H,33,40)(H2,34,35,41)/t18-,24+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109059
PNG
(US9695205, 5)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1cc(C(C)=O)c2cc(NC(=O)NC3CC3)ccc12)c1cccc(Cl)c1F
Show InChI InChI=1S/C30H31ClFN5O4/c1-15(20-4-3-5-23(31)28(20)32)33-29(40)26-11-17-10-25(17)37(26)27(39)14-36-13-22(16(2)38)21-12-19(8-9-24(21)36)35-30(41)34-18-6-7-18/h3-5,8-9,12-13,15,17-18,25-26H,6-7,10-11,14H2,1-2H3,(H,33,40)(H2,34,35,41)/t15-,17-,25-,26+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109061
PNG
(US9695205, 6)
Show SMILES CC(C)NC(=O)Nc1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)cc(C(C)=O)c2c1
Show InChI InChI=1S/C28H30ClF2N5O4/c1-15(2)33-28(40)34-19-7-8-23-20(10-19)21(16(3)37)13-35(23)14-25(38)36-12-18(30)9-24(36)27(39)32-11-17-5-4-6-22(29)26(17)31/h4-8,10,13,15,18,24H,9,11-12,14H2,1-3H3,(H,32,39)(H2,33,34,40)/t18-,24+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109091
PNG
(US9695205, 7)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NCc3ccon3)cc12
Show InChI InChI=1S/C29H27ClF2N6O5/c1-16(39)22-14-37(24-6-5-19(10-21(22)24)35-29(42)34-12-20-7-8-43-36-20)15-26(40)38-13-18(31)9-25(38)28(41)33-11-17-3-2-4-23(30)27(17)32/h2-8,10,14,18,25H,9,11-13,15H2,1H3,(H,33,41)(H2,34,35,42)/t18-,25+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109092
PNG
(US9695205, 8)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NCc3ncccn3)cc12
Show InChI InChI=1S/C30H28ClF2N7O4/c1-17(41)22-15-39(24-7-6-20(11-21(22)24)38-30(44)37-13-26-34-8-3-9-35-26)16-27(42)40-14-19(32)10-25(40)29(43)36-12-18-4-2-5-23(31)28(18)33/h2-9,11,15,19,25H,10,12-14,16H2,1H3,(H,36,43)(H2,37,38,44)/t19-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109093
PNG
(US9695205, 9)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3CCCC3)cc12
Show InChI InChI=1S/C29H30ClF2N5O4/c1-17(38)22-15-36(24-8-7-20(12-21(22)24)34-29(41)35-9-2-3-10-35)16-26(39)37-14-19(31)11-25(37)28(40)33-13-18-5-4-6-23(30)27(18)32/h4-8,12,15,19,25H,2-3,9-11,13-14,16H2,1H3,(H,33,40)(H,34,41)/t19-,25+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109094
PNG
(US9695205, 10)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)NC3CC3)cc12
Show InChI InChI=1S/C28H26F5N5O5/c1-14(39)19-12-37(21-8-7-17(10-18(19)21)35-27(42)34-16-5-6-16)13-24(40)38-11-15(29)9-22(38)26(41)36-20-3-2-4-23(25(20)30)43-28(31,32)33/h2-4,7-8,10,12,15-16,22H,5-6,9,11,13H2,1H3,(H,36,41)(H2,34,35,42)/t15-,22+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109103
PNG
(US9695205, 11)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)NC3CC3)cc12
Show InChI InChI=1S/C29H27F4N5O5/c1-14(39)19-12-37(21-8-7-17(11-18(19)21)35-28(42)34-16-5-6-16)13-25(40)38-22-9-15(22)10-23(38)27(41)36-20-3-2-4-24(26(20)30)43-29(31,32)33/h2-4,7-8,11-12,15-16,22-23H,5-6,9-10,13H2,1H3,(H,36,41)(H2,34,35,42)/t15-,22-,23+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109104
PNG
(US9695205, 12)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3CCCC3)cc12
Show InChI InChI=1S/C30H31ClFN5O4/c1-17(38)22-15-36(24-8-7-20(13-21(22)24)34-30(41)35-9-2-3-10-35)16-27(39)37-25-11-19(25)12-26(37)29(40)33-14-18-5-4-6-23(31)28(18)32/h4-8,13,15,19,25-26H,2-3,9-12,14,16H2,1H3,(H,33,40)(H,34,41)/t19-,25-,26+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109178
PNG
(US9695205, 13)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3CCC(F)(F)C3)cc12
Show InChI InChI=1S/C29H28ClF4N5O4/c1-16(40)21-13-38(23-6-5-19(10-20(21)23)36-28(43)37-8-7-29(33,34)15-37)14-25(41)39-12-18(31)9-24(39)27(42)35-11-17-3-2-4-22(30)26(17)32/h2-6,10,13,18,24H,7-9,11-12,14-15H2,1H3,(H,35,42)(H,36,43)/t18-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109199
PNG
(US9695205, 14)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)OC3CC3)cc12
Show InChI InChI=1S/C28H27ClF2N4O5/c1-15(36)21-13-34(23-8-5-18(10-20(21)23)33-28(39)40-19-6-7-19)14-25(37)35-12-17(30)9-24(35)27(38)32-11-16-3-2-4-22(29)26(16)31/h2-5,8,10,13,17,19,24H,6-7,9,11-12,14H2,1H3,(H,32,38)(H,33,39)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109358
PNG
(US9695205, 15)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)OCC3CC3)cc12
Show InChI InChI=1S/C29H29ClF2N4O5/c1-16(37)22-13-35(24-8-7-20(10-21(22)24)34-29(40)41-15-17-5-6-17)14-26(38)36-12-19(31)9-25(36)28(39)33-11-18-3-2-4-23(30)27(18)32/h2-4,7-8,10,13,17,19,25H,5-6,9,11-12,14-15H2,1H3,(H,33,39)(H,34,40)/t19-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109385
PNG
(US9695205, 16)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12
Show InChI InChI=1S/C30H30ClF4N5O4/c1-17(41)22-14-39(24-7-6-20(11-21(22)24)37-29(44)38-9-3-8-30(34,35)16-38)15-26(42)40-13-19(32)10-25(40)28(43)36-12-18-4-2-5-23(31)27(18)33/h2,4-7,11,14,19,25H,3,8-10,12-13,15-16H2,1H3,(H,36,43)(H,37,44)/t19-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109391
PNG
(US9695205, 17)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12
Show InChI InChI=1S/C30H28F7N5O5/c1-16(43)20-13-41(22-7-6-18(11-19(20)22)38-28(46)40-9-3-8-29(33,34)15-40)14-25(44)42-12-17(31)10-23(42)27(45)39-21-4-2-5-24(26(21)32)47-30(35,36)37/h2,4-7,11,13,17,23H,3,8-10,12,14-15H2,1H3,(H,38,46)(H,39,45)/t17-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109393
PNG
(US9695205, 18)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12
Show InChI InChI=1S/C35H32ClF4N5O4/c1-20(46)26-17-44(29-11-10-22(15-25(26)29)41-34(49)43-13-5-12-35(39,40)19-43)18-31(47)45-16-21(37)14-30(45)33(48)42-28-9-4-7-24(32(28)38)23-6-2-3-8-27(23)36/h2-4,6-11,15,17,21,30H,5,12-14,16,18-19H2,1H3,(H,41,49)(H,42,48)/t21-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109466
PNG
(US9695205, 19)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)Nc3ccon3)cc12
Show InChI InChI=1S/C28H25ClF2N6O5/c1-15(38)20-13-36(22-6-5-18(10-19(20)22)33-28(41)34-24-7-8-42-35-24)14-25(39)37-12-17(30)9-23(37)27(40)32-11-16-3-2-4-21(29)26(16)31/h2-8,10,13,17,23H,9,11-12,14H2,1H3,(H,32,40)(H2,33,34,35,41)/t17-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109468
PNG
(US9695205, 20)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(n2)C(F)(F)F)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12
Show InChI InChI=1S/C29H28F6N6O4/c1-16(42)20-13-40(21-7-6-18(11-19(20)21)36-27(45)39-9-3-8-28(31,32)15-39)14-25(43)41-12-17(30)10-22(41)26(44)38-24-5-2-4-23(37-24)29(33,34)35/h2,4-7,11,13,17,22H,3,8-10,12,14-15H2,1H3,(H,36,45)(H,37,38,44)/t17-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109469
PNG
(US9695205, 21)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NCC(F)(F)F)cc12
Show InChI InChI=1S/C27H25ClF5N5O4/c1-14(39)19-11-37(21-6-5-17(8-18(19)21)36-26(42)35-13-27(31,32)33)12-23(40)38-10-16(29)7-22(38)25(41)34-9-15-3-2-4-20(28)24(15)30/h2-6,8,11,16,22H,7,9-10,12-13H2,1H3,(H,34,41)(H2,35,36,42)/t16-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109544
PNG
(US9695205, 22)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3Cc4cncnc4C3)cc12
Show InChI InChI=1S/C31H28ClF2N7O4/c1-17(42)23-13-39(26-6-5-21(8-22(23)26)38-31(45)40-11-19-9-35-16-37-25(19)14-40)15-28(43)41-12-20(33)7-27(41)30(44)36-10-18-3-2-4-24(32)29(18)34/h2-6,8-9,13,16,20,27H,7,10-12,14-15H2,1H3,(H,36,44)(H,38,45)/t20-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109545
PNG
(US9695205, 23)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)Nc3cncnc3)cc12
Show InChI InChI=1S/C29H26ClF2N7O4/c1-16(40)22-13-38(24-6-5-19(8-21(22)24)36-29(43)37-20-10-33-15-34-11-20)14-26(41)39-12-18(31)7-25(39)28(42)35-9-17-3-2-4-23(30)27(17)32/h2-6,8,10-11,13,15,18,25H,7,9,12,14H2,1H3,(H,35,42)(H2,36,37,43)/t18-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109940
PNG
(US9695205, 24)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12
Show InChI InChI=1S/C33H30ClF4N7O4/c34-23-7-2-1-5-20(23)21-6-3-8-24(28(21)36)41-31(48)26-13-18(35)15-44(26)27(46)16-45-25-10-9-19(14-22(25)29(42-45)30(39)47)40-32(49)43-12-4-11-33(37,38)17-43/h1-3,5-10,14,18,26H,4,11-13,15-17H2,(H2,39,47)(H,40,49)(H,41,48)/t18-,26+/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM109944
PNG
(US9695205, 25)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)Nc3ccon3)cc12
Show InChI InChI=1S/C26H21F5N8O6/c27-12-8-17(24(42)34-15-2-1-3-18(21(15)28)45-26(29,30)31)38(10-12)20(40)11-39-16-5-4-13(9-14(16)22(36-39)23(32)41)33-25(43)35-19-6-7-44-37-19/h1-7,9,12,17H,8,10-11H2,(H2,32,41)(H,34,42)(H2,33,35,37,43)/t12-,17+/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
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