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Patent code US9796741

Compile Data Set for Download or QSAR
Found 168 hits of Enzyme Inhibition Constant Data   
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
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))
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))
BDBM354187
PNG
(1-(2-((2S,4R)-2-(6- chloropyrazin-2- ylcarbamoyl)-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Cl)n2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C23H19ClFN9O3/c24-18-8-27-9-19(30-18)31-23(37)17-6-14(25)10-33(17)20(35)11-34-16-2-1-12(13-3-4-28-29-7-13)5-15(16)21(32-34)22(26)36/h1-5,7-9,14,17H,6,10-11H2,(H2,26,36)(H,30,31,37)/t14-,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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354196
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)Nc2nc(ns2)-c2ccccc2Cl)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C29H23ClFN7O3S/c1-16(39)22-14-37(24-7-6-17(10-21(22)24)18-8-9-32-33-12-18)15-26(40)38-13-19(31)11-25(38)28(41)35-29-34-27(36-42-29)20-4-2-3-5-23(20)30/h2-10,12,14,19,25H,11,13,15H2,1H3,(H,34,35,36,41)/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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354222
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(6-methylpyridin-3- yl)-...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1ccc(C)nc1
Show InChI InChI=1S/C28H25BrFN5O3/c1-16-6-7-19(12-31-16)18-8-9-23-21(10-18)22(17(2)36)14-34(23)15-27(37)35-13-20(30)11-24(35)28(38)33-26-5-3-4-25(29)32-26/h3-10,12,14,20,24H,11,13,15H2,1-2H3,(H,32,33,38)/t20-,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))
BDBM351981
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)c2ccc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C30H24ClF2N7O3/c31-22-6-2-1-4-19(22)20-5-3-7-23(27(20)33)37-30(43)25-11-18(32)14-39(25)26(41)15-40-24-9-8-16(17-12-35-36-13-17)10-21(24)28(38-40)29(34)42/h1-10,12-13,18,25H,11,14-15H2,(H2,34,42)(H,35,36)(H,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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM351992
PNG
(1-(2-((1R,3S,5R)-3-(6- bromopyridin-2- ylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(nc1)N1CCCC1
Show InChI InChI=1S/C29H28BrN9O3/c30-23-4-3-5-24(34-23)35-28(42)22-12-17-11-21(17)39(22)25(40)15-38-20-7-6-16(10-19(20)26(36-38)27(31)41)18-13-32-29(33-14-18)37-8-1-2-9-37/h3-7,10,13-14,17,21-22H,1-2,8-9,11-12,15H2,(H2,31,41)(H,34,35,42)/t17-,21-,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))
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))
BDBM354137
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)NCc2cc(F)cc(Cl)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C28H24ClF2N5O3/c1-16(37)24-14-35(25-3-2-18(8-23(24)25)19-4-5-33-34-12-19)15-27(38)36-13-22(31)10-26(36)28(39)32-11-17-6-20(29)9-21(30)7-17/h2-9,12,14,22,26H,10-11,13,15H2,1H3,(H,32,39)/t22-,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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354172
PNG
(1-(2-((2S,4R)-2-(2,2- dimethyl-2,3- dihydrobenzofu...)
Show SMILES CC1(C)Cc2ccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Cn3nc(C(N)=O)c4cc(ccc34)-c3ccnnc3)cc2O1
Show InChI InChI=1S/C29H28FN7O4/c1-29(2)12-17-3-5-20(11-24(17)41-29)34-28(40)23-10-19(30)14-36(23)25(38)15-37-22-6-4-16(18-7-8-32-33-13-18)9-21(22)26(35-37)27(31)39/h3-9,11,13,19,23H,10,12,14-15H2,1-2H3,(H2,31,39)(H,34,40)/t19-,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))
BDBM354177
PNG
((1R,3S,5R)-2-(2-(3- acetyl-5-(2- methoxypyrimidin-...)
Show SMILES COc1ncc(cn1)-c1ccc2n(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc3cccc(Br)n3)cc(C(C)=O)c2c1
Show InChI InChI=1S/C28H25BrN6O4/c1-15(36)20-13-34(21-7-6-16(8-19(20)21)18-11-30-28(39-2)31-12-18)14-26(37)35-22-9-17(22)10-23(35)27(38)33-25-5-3-4-24(29)32-25/h3-8,11-13,17,22-23H,9-10,14H2,1-2H3,(H,32,33,38)/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))
BDBM354197
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-chlorophenyl)-1H- ind...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H23BrClFN4O3/c1-16(36)21-14-34(23-10-9-17(11-20(21)23)19-5-2-3-6-22(19)30)15-27(37)35-13-18(31)12-24(35)28(38)33-26-8-4-7-25(29)32-26/h2-11,14,18,24H,12-13,15H2,1H3,(H,32,33,38)/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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354200
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2- fluorobiphenyl-3- y...)
Show SMILES Cc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)nc(C(N)=O)c2c1
Show InChI InChI=1S/C32H26ClF2N7O3/c1-17-37-13-19(14-38-17)18-9-10-26-23(11-18)30(31(36)44)40-42(26)16-28(43)41-15-20(34)12-27(41)32(45)39-25-8-4-6-22(29(25)35)21-5-2-3-7-24(21)33/h2-11,13-14,20,27H,12,15-16H2,1H3,(H2,36,44)(H,39,45)/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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354229
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)Nc2cncc(Br)n2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C25H21BrFN7O3/c1-14(35)19-12-33(20-3-2-15(6-18(19)20)16-4-5-29-30-8-16)13-24(36)34-11-17(27)7-21(34)25(37)32-23-10-28-9-22(26)31-23/h2-6,8-10,12,17,21H,7,11,13H2,1H3,(H,31,32,37)/t17-,21+/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))
BDBM354253
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2cc(F)c(F)cc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C34H26ClF4N5O3/c1-17(45)25-15-43(30-7-6-19(8-24(25)30)20-12-40-18(2)41-13-20)16-32(46)44-14-21(36)9-31(44)34(47)42-29-5-3-4-22(33(29)39)23-10-27(37)28(38)11-26(23)35/h3-8,10-13,15,21,31H,9,14,16H2,1-2H3,(H,42,47)/t21-,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))
BDBM354264
PNG
((2R,4S)-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)NC2CCCN(C2=O)c2ccccc2Cl)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C32H30ClFN6O4/c1-19(41)24-17-38(27-9-8-20(13-23(24)27)21-10-11-35-36-15-21)18-30(42)40-16-22(34)14-29(40)31(43)37-26-6-4-12-39(32(26)44)28-7-3-2-5-25(28)33/h2-3,5,7-11,13,15,17,22,26,29H,4,6,12,14,16,18H2,1H3,(H,37,43)/t22-,26?,29+/m0/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))
BDBM354266
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C33H27ClF2N6O3/c1-18(43)32-25-12-20(21-14-37-19(2)38-15-21)10-11-28(25)42(40-32)17-30(44)41-16-22(35)13-29(41)33(45)39-27-9-5-7-24(31(27)36)23-6-3-4-8-26(23)34/h3-12,14-15,22,29H,13,16-17H2,1-2H3,(H,39,45)/t22-,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))
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))
BDBM351984
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)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C30H29BrFN7O4/c31-25-2-1-3-26(34-25)35-30(42)24-15-20(32)16-38(24)27(40)17-39-23-9-6-19(14-22(23)28(36-39)29(33)41)18-4-7-21(8-5-18)37-10-12-43-13-11-37/h1-9,14,20,24H,10-13,15-17H2,(H2,33,41)(H,34,35,42)/t20-,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))
BDBM351987
PNG
(1-(2-((1R,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)-c1cncnc1
Show InChI InChI=1S/C32H25ClFN7O3/c33-23-6-2-1-4-20(23)21-5-3-7-24(29(21)34)38-32(44)27-12-18-11-26(18)41(27)28(42)15-40-25-9-8-17(19-13-36-16-37-14-19)10-22(25)30(39-40)31(35)43/h1-10,13-14,16,18,26-27H,11-12,15H2,(H2,35,43)(H,38,44)/t18-,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))
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))
BDBM354158
PNG
(1-(2-((2S,4R)-2-(3- chloro-5- fluorobenzylcarbamoy...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cc(F)cc(Cl)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H22ClF2N7O3/c27-17-5-14(6-18(28)8-17)10-31-26(39)22-9-19(29)12-35(22)23(37)13-36-21-2-1-15(16-3-4-32-33-11-16)7-20(21)24(34-36)25(30)38/h1-8,11,19,22H,9-10,12-13H2,(H2,30,38)(H,31,39)/t19-,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))
BDBM354176
PNG
((1R,3S,5R)-2-(2-(3- acetyl-5-(2- methoxypyrimidin...)
Show SMILES COc1ncc(cn1)-c1ccc2n(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c2c1
Show InChI InChI=1S/C35H29ClFN5O4/c1-19(43)26-17-41(29-11-10-20(12-25(26)29)22-15-38-35(46-2)39-16-22)18-32(44)42-30-13-21(30)14-31(42)34(45)40-28-9-5-7-24(33(28)37)23-6-3-4-8-27(23)36/h3-12,15-17,21,30-31H,13-14,18H2,1-2H3,(H,40,45)/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))
BDBM354178
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-cyanopyrimidin-5- yl)...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(nc1)C#N
Show InChI InChI=1S/C27H21BrFN7O3/c1-15(37)20-13-35(21-6-5-16(7-19(20)21)17-10-31-25(9-30)32-11-17)14-26(38)36-12-18(29)8-22(36)27(39)34-24-4-2-3-23(28)33-24/h2-7,10-11,13,18,22H,8,12,14H2,1H3,(H,33,34,39)/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))
BDBM354238
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C29H26ClF2N5O3/c1-16(38)23-14-36(25-7-6-18(8-22(23)25)20-11-33-17(2)34-12-20)15-27(39)37-13-21(31)9-26(37)29(40)35-10-19-4-3-5-24(30)28(19)32/h3-8,11-12,14,21,26H,9-10,13,15H2,1-2H3,(H,35,40)/t21-,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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354241
PNG
((2S,4R)-1-(2-(5-(2- acetamidopyrimidin-5- yl)-3-ac...)
Show SMILES CC(=O)Nc1ncc(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/C35H29ClF2N6O4/c1-19(45)27-17-43(30-11-10-21(12-26(27)30)22-14-39-35(40-15-22)41-20(2)46)18-32(47)44-16-23(37)13-31(44)34(48)42-29-9-5-7-25(33(29)38)24-6-3-4-8-28(24)36/h3-12,14-15,17,23,31H,13,16,18H2,1-2H3,(H,42,48)(H,39,40,41,46)/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))
BDBM354251
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(6-methylpyridazin-3- yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1ccc(C)nn1
Show InChI InChI=1S/C27H24BrFN6O3/c1-15-6-8-21(33-32-15)17-7-9-22-19(10-17)20(16(2)36)13-34(22)14-26(37)35-12-18(29)11-23(35)27(38)31-25-5-3-4-24(28)30-25/h3-10,13,18,23H,11-12,14H2,1-2H3,(H,30,31,38)/t18-,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))
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))
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))
BDBM354171
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)Nc2ccc3CC(C)(C)Oc3c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C31H30FN5O4/c1-18(38)25-16-36(26-7-5-19(10-24(25)26)21-8-9-33-34-14-21)17-29(39)37-15-22(32)11-27(37)30(40)35-23-6-4-20-13-31(2,3)41-28(20)12-23/h4-10,12,14,16,22,27H,11,13,15,17H2,1-3H3,(H,35,40)/t22-,27+/m1/s1
PDB

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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))
BDBM354240
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C27H24ClFN6O3/c1-15(36)21-13-34(22-7-6-17(8-20(21)22)18-10-30-16(2)31-11-18)14-26(37)35-12-19(29)9-23(35)27(38)33-25-5-3-4-24(28)32-25/h3-8,10-11,13,19,23H,9,12,14H2,1-2H3,(H,32,33,38)/t19-,23+/m1/s1
PDB

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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))
BDBM354252
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2Cl)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C34H28Cl2FN5O3/c1-19(43)27-17-41(30-11-10-21(12-26(27)30)22-14-38-20(2)39-15-22)18-32(44)42-16-23(37)13-31(42)34(45)40-29-9-5-7-25(33(29)36)24-6-3-4-8-28(24)35/h3-12,14-15,17,23,31H,13,16,18H2,1-2H3,(H,40,45)/t23-,31+/m1/s1
PDB

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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))
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
PDB

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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))
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))
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))
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))
BDBM354180
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-fluoropyrimidin-5- yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(F)nc1
Show InChI InChI=1S/C26H21BrF2N6O3/c1-14(36)19-12-34(20-6-5-15(7-18(19)20)16-9-30-26(29)31-10-16)13-24(37)35-11-17(28)8-21(35)25(38)33-23-4-2-3-22(27)32-23/h2-7,9-10,12,17,21H,8,11,13H2,1H3,(H,32,33,38)/t17-,21+/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))
BDBM354236
PNG
((1R,3S,5R)-2-(2-(3- acetyl-5-(2- methylpyrimidin-5...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C35H29ClFN5O3/c1-19(43)27-17-41(30-11-10-21(12-26(27)30)23-15-38-20(2)39-16-23)18-33(44)42-31-13-22(31)14-32(42)35(45)40-29-9-5-7-25(34(29)37)24-6-3-4-8-28(24)36/h3-12,15-17,22,31-32H,13-14,18H2,1-2H3,(H,40,45)/t22-,31-,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))
BDBM354268
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/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))
BDBM351986
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)-c1cncnc1
Show InChI InChI=1S/C24H20BrFN8O3/c25-19-2-1-3-20(30-19)31-24(37)18-7-15(26)10-33(18)21(35)11-34-17-5-4-13(14-8-28-12-29-9-14)6-16(17)22(32-34)23(27)36/h1-6,8-9,12,15,18H,7,10-11H2,(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))
BDBM351989
PNG
(1-(2-((1R,3S,5R)-3-(2- fluoro-3- (trifluoromethoxy...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C27H21F4N7O4/c28-23-17(2-1-3-21(23)42-27(29,30)31)35-26(41)20-8-14-7-19(14)38(20)22(39)11-37-18-5-4-13(15-9-33-12-34-10-15)6-16(18)24(36-37)25(32)40/h1-6,9-10,12,14,19-20H,7-8,11H2,(H2,32,40)(H,35,41)/t14-,19-,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))
BDBM351991
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)c2ccc(cc12)-c1cnc(nc1)N1CCCC1
Show InChI InChI=1S/C35H31ClF2N8O3/c36-26-8-2-1-6-23(26)24-7-5-9-27(31(24)38)42-34(49)29-15-22(37)18-45(29)30(47)19-46-28-11-10-20(14-25(28)32(43-46)33(39)48)21-16-40-35(41-17-21)44-12-3-4-13-44/h1-2,5-11,14,16-17,22,29H,3-4,12-13,15,18-19H2,(H2,39,48)(H,42,49)/t22-,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))
BDBM351993
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)c2ccc(cc12)-c1ccc(F)nc1
Show InChI InChI=1S/C32H24ClF3N6O3/c33-23-6-2-1-4-20(23)21-5-3-7-24(29(21)36)39-32(45)26-13-19(34)15-41(26)28(43)16-42-25-10-8-17(18-9-11-27(35)38-14-18)12-22(25)30(40-42)31(37)44/h1-12,14,19,26H,13,15-16H2,(H2,37,44)(H,39,45)/t19-,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 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))
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))
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
PDB

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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
PDB

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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
Complement factor D


(Homo sapiens (Human))
BDBM354220
PNG
((2S,4R)-1-(2-(5-(2- acetamidopyrimidin-5- yl)-3-ac...)
Show SMILES CC(=O)Nc1ncc(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/C28H25BrFN7O4/c1-15(38)21-13-36(22-7-6-17(8-20(21)22)18-10-31-28(32-11-18)33-16(2)39)14-26(40)37-12-19(30)9-23(37)27(41)35-25-5-3-4-24(29)34-25/h3-8,10-11,13,19,23H,9,12,14H2,1-2H3,(H,34,35,41)(H,31,32,33,39)/t19-,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))
BDBM354221
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(3-chlorophenyl)-1H- ind...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H23BrClFN4O3/c1-16(36)22-14-34(23-9-8-18(11-21(22)23)17-4-2-5-19(30)10-17)15-27(37)35-13-20(31)12-24(35)28(38)33-26-7-3-6-25(29)32-26/h2-11,14,20,24H,12-13,15H2,1H3,(H,32,33,38)/t20-,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))
BDBM354234
PNG
((1R,3S,5R)-2-(2-(3- acetyl-5-(2- methylpyrimidin-5...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C28H25BrN6O3/c1-15(36)21-13-34(22-7-6-17(8-20(21)22)19-11-30-16(2)31-12-19)14-27(37)35-23-9-18(23)10-24(35)28(38)33-26-5-3-4-25(29)32-26/h3-8,11-13,18,23-24H,9-10,14H2,1-2H3,(H,32,33,38)/t18-,23-,24+/m1/s1
PDB

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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))
BDBM354239
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)NCc3cccc(Cl)c3F)cc(C(C)=O)c2c1
Show InChI InChI=1S/C29H26ClF2N5O4/c1-16(38)22-14-36(24-7-6-17(8-21(22)24)19-11-34-29(41-2)35-12-19)15-26(39)37-13-20(31)9-25(37)28(40)33-10-18-4-3-5-23(30)27(18)32/h3-8,11-12,14,20,25H,9-10,13,15H2,1-2H3,(H,33,40)/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
Complement factor D


(Homo sapiens (Human))
BDBM351982
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)c2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C31H24ClF2N7O3/c32-23-6-2-1-4-20(23)21-5-3-7-24(28(21)34)38-31(44)26-11-19(33)14-40(26)27(42)15-41-25-9-8-17(18-12-36-16-37-13-18)10-22(25)29(39-41)30(35)43/h1-10,12-13,16,19,26H,11,14-15H2,(H2,35,43)(H,38,44)/t19-,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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM351985
PNG
(1-(2-((1R,3S,5R)-3-(6- bromopyridin-2- ylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C25H21BrN8O3/c26-20-2-1-3-21(30-20)31-25(37)19-8-14-7-18(14)34(19)22(35)11-33-17-5-4-13(15-9-28-12-29-10-15)6-16(17)23(32-33)24(27)36/h1-6,9-10,12,14,18-19H,7-8,11H2,(H2,27,36)(H,30,31,37)/t14-,18-,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))
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))
BDBM354135
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)NCc2cccc(Cl)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C28H25ClFN5O3/c1-17(36)24-15-34(25-6-5-19(10-23(24)25)20-7-8-32-33-13-20)16-27(37)35-14-22(30)11-26(35)28(38)31-12-18-3-2-4-21(29)9-18/h2-10,13,15,22,26H,11-12,14,16H2,1H3,(H,31,38)/t22-,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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354136
PNG
(1-(2-((2S,4R)-2-(3- chlorobenzylcarbamoyl)- 4-fluo...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H23ClFN7O3/c27-18-3-1-2-15(8-18)11-30-26(38)22-10-19(28)13-34(22)23(36)14-35-21-5-4-16(17-6-7-31-32-12-17)9-20(21)24(33-35)25(29)37/h1-9,12,19,22H,10-11,13-14H2,(H2,29,37)(H,30,38)/t19-,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))
BDBM354162
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)Nc2cncc(Cl)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H22ClFN6O3/c1-15(35)22-13-33(23-3-2-16(6-21(22)23)17-4-5-30-31-9-17)14-25(36)34-12-19(28)8-24(34)26(37)32-20-7-18(27)10-29-11-20/h2-7,9-11,13,19,24H,8,12,14H2,1H3,(H,32,37)/t19-,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))
BDBM354164
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)Nc2cncc(Br)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H22BrFN6O3/c1-15(35)22-13-33(23-3-2-16(6-21(22)23)17-4-5-30-31-9-17)14-25(36)34-12-19(28)8-24(34)26(37)32-20-7-18(27)10-29-11-20/h2-7,9-11,13,19,24H,8,12,14H2,1H3,(H,32,37)/t19-,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))
BDBM354181
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C27H24BrFN6O3/c1-15(36)21-13-34(22-7-6-17(8-20(21)22)18-10-30-16(2)31-11-18)14-26(37)35-12-19(29)9-23(35)27(38)33-25-5-3-4-24(28)32-25/h3-8,10-11,13,19,23H,9,12,14H2,1-2H3,(H,32,33,38)/t19-,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))
BDBM354223
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(6-methylpyridazin-4- yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnnc(C)c1
Show InChI InChI=1S/C34H28ClF2N5O3/c1-19-12-22(15-38-40-19)21-10-11-30-26(13-21)27(20(2)43)17-41(30)18-32(44)42-16-23(36)14-31(42)34(45)39-29-9-5-7-25(33(29)37)24-6-3-4-8-28(24)35/h3-13,15,17,23,31H,14,16,18H2,1-2H3,(H,39,45)/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))
BDBM354188
PNG
(1-(2-((2S,4R)-2-(5- bromopyridin-3- ylcarbamoyl)-4...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C23H19BrFN9O3/c24-18-8-27-9-19(30-18)31-23(37)17-6-14(25)10-33(17)20(35)11-34-16-2-1-12(13-3-4-28-29-7-13)5-15(16)21(32-34)22(26)36/h1-5,7-9,14,17H,6,10-11H2,(H2,26,36)(H,30,31,37)/t14-,17+/m1/s1
PDB

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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))
BDBM354237
PNG
((1R,3S,5R)-2-(2-(3- acetyl-5-(2- methylpyrimidin-5...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C30H27ClFN5O3/c1-16(38)23-14-36(25-7-6-18(8-22(23)25)21-12-33-17(2)34-13-21)15-28(39)37-26-9-20(26)10-27(37)30(40)35-11-19-4-3-5-24(31)29(19)32/h3-8,12-14,20,26-27H,9-11,15H2,1-2H3,(H,35,40)/t20-,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))
BDBM354267
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ncccc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C33H27ClF2N6O3/c1-18(43)25-16-41(28-9-8-20(11-24(25)28)21-13-38-19(2)39-14-21)17-30(44)42-15-22(35)12-29(42)33(45)40-27-7-3-5-23(31(27)36)32-26(34)6-4-10-37-32/h3-11,13-14,16,22,29H,12,15,17H2,1-2H3,(H,40,45)/t22-,29+/m1/s1
PDB

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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))
BDBM354269
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)Nc2noc(n2)-c2ccccc2Cl)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C29H23ClFN7O4/c1-16(39)22-14-37(24-7-6-17(10-21(22)24)18-8-9-32-33-12-18)15-26(40)38-13-19(31)11-25(38)27(41)34-29-35-28(42-36-29)20-4-2-3-5-23(20)30/h2-10,12,14,19,25H,11,13,15H2,1H3,(H,34,36,41)/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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM351988
PNG
(1-(2-((1R,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)-c1ncccn1
Show InChI InChI=1S/C32H25ClFN7O3/c33-22-7-2-1-5-19(22)20-6-3-8-23(28(20)34)38-32(44)26-15-18-14-25(18)41(26)27(42)16-40-24-10-9-17(31-36-11-4-12-37-31)13-21(24)29(39-40)30(35)43/h1-13,18,25-26H,14-16H2,(H2,35,43)(H,38,44)/t18-,25-,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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM351990
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(2-fluoro-3- (trifluorom...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C26H20F5N7O4/c27-15-7-19(25(41)35-17-2-1-3-20(22(17)28)42-26(29,30)31)37(10-15)21(39)11-38-18-5-4-13(14-8-33-12-34-9-14)6-16(18)23(36-38)24(32)40/h1-6,8-9,12,15,19H,7,10-11H2,(H2,32,40)(H,35,41)/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))
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))
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))
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))
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))
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))
BDBM354185
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)Nc2cncc(Cl)n2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C25H21ClFN7O3/c1-14(35)19-12-33(20-3-2-15(6-18(19)20)16-4-5-29-30-8-16)13-24(36)34-11-17(27)7-21(34)25(37)32-23-10-28-9-22(26)31-23/h2-6,8-10,12,17,21H,7,11,13H2,1H3,(H,31,32,37)/t17-,21+/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))
BDBM354198
PNG
(1-(2-((2S,4R)-2-(6- bromopyridin-2- ylcarbamoyl)-4...)
Show SMILES Cc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(Br)n3)nc(C(N)=O)c2c1
Show InChI InChI=1S/C25H22BrFN8O3/c1-13-29-9-15(10-30-13)14-5-6-18-17(7-14)23(24(28)37)33-35(18)12-22(36)34-11-16(27)8-19(34)25(38)32-21-4-2-3-20(26)31-21/h2-7,9-10,16,19H,8,11-12H2,1H3,(H2,28,37)(H,31,32,38)/t16-,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))
BDBM354199
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C34H28ClF2N5O3/c1-19(43)27-17-41(30-11-10-21(12-26(27)30)22-14-38-20(2)39-15-22)18-32(44)42-16-23(36)13-31(42)34(45)40-29-9-5-7-25(33(29)37)24-6-3-4-8-28(24)35/h3-12,14-15,17,23,31H,13,16,18H2,1-2H3,(H,40,45)/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))
BDBM354254
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(6-methylpyridin-3- yl)-...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1ccc(C)nc1
Show InChI InChI=1S/C35H29ClF2N4O3/c1-20-10-11-23(16-39-20)22-12-13-31-27(14-22)28(21(2)43)18-41(31)19-33(44)42-17-24(37)15-32(42)35(45)40-30-9-5-7-26(34(30)38)25-6-3-4-8-29(25)36/h3-14,16,18,24,32H,15,17,19H2,1-2H3,(H,40,45)/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))
BDBM354134
PNG
(1-(2-((2S,4R)-2-(4,7- difluoro-2,3-dihydro- 1H-ind...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCc3c2c(F)ccc3F)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C28H24F3N7O3/c29-16-10-23(28(41)35-21-5-2-17-19(30)3-4-20(31)25(17)21)37(12-16)24(39)13-38-22-6-1-14(15-7-8-33-34-11-15)9-18(22)26(36-38)27(32)40/h1,3-4,6-9,11,16,21,23H,2,5,10,12-13H2,(H2,32,40)(H,35,41)/t16-,21?,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))
BDBM354184
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1cc(C(C)=O)c2cc(ccc12)-c1ccnnc1
Show InChI InChI=1S/C22H22FN5O3/c1-13(29)18-11-27(12-21(30)28-10-16(23)8-20(28)22(31)24-2)19-4-3-14(7-17(18)19)15-5-6-25-26-9-15/h3-7,9,11,16,20H,8,10,12H2,1-2H3,(H,24,31)/t16-,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))
BDBM354227
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)NC2CCCN(C2=O)c2cc(C)ccc2F)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C33H32F2N6O4/c1-19-5-7-26(35)29(12-19)40-11-3-4-27(33(40)45)38-32(44)30-14-23(34)16-41(30)31(43)18-39-17-25(20(2)42)24-13-21(6-8-28(24)39)22-9-10-36-37-15-22/h5-10,12-13,15,17,23,27,30H,3-4,11,14,16,18H2,1-2H3,(H,38,44)/t23-,27?,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))
BDBM354231
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)Nc2cc3OC(F)(F)Oc3cc2F)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C28H21F4N5O5/c1-14(38)19-12-36(22-3-2-15(6-18(19)22)16-4-5-33-34-10-16)13-26(39)37-11-17(29)7-23(37)27(40)35-21-9-25-24(8-20(21)30)41-28(31,32)42-25/h2-6,8-10,12,17,23H,7,11,13H2,1H3,(H,35,40)/t17-,23+/m1/s1
PDB

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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))
BDBM354265
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES CC(NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1cc(C(C)=O)c2cc(ccc12)-c1ccnnc1)c1oc2ccc(F)cc2c1C
Show InChI InChI=1S/C32H29F2N5O4/c1-17-24-11-22(33)5-7-29(24)43-31(17)18(2)37-32(42)28-12-23(34)14-39(28)30(41)16-38-15-26(19(3)40)25-10-20(4-6-27(25)38)21-8-9-35-36-13-21/h4-11,13,15,18,23,28H,12,14,16H2,1-3H3,(H,37,42)/t18?,23-,28+/m1/s1
PDB

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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))
BDBM353155
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)Nc2cccnc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H23FN6O3/c1-16(34)22-14-32(23-5-4-17(9-21(22)23)18-6-8-29-30-11-18)15-25(35)33-13-19(27)10-24(33)26(36)31-20-3-2-7-28-12-20/h2-9,11-12,14,19,24H,10,13,15H2,1H3,(H,31,36)/t19-,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))
BDBM354163
PNG
(1-(2-((2S,4R)-2-(5- chloropyridin-3- ylcarbamoyl)-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Cl)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C24H20ClFN8O3/c25-15-6-17(10-28-9-15)31-24(37)20-7-16(26)11-33(20)21(35)12-34-19-2-1-13(14-3-4-29-30-8-14)5-18(19)22(32-34)23(27)36/h1-6,8-10,16,20H,7,11-12H2,(H2,27,36)(H,31,37)/t16-,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))
BDBM354207
PNG
(1-(2-((2S,4R)-2-(5- bromopyrimidin-2- ylcarbamoyl)...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ncc(Br)cn2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C23H19BrFN9O3/c24-14-8-27-23(28-9-14)31-22(37)18-6-15(25)10-33(18)19(35)11-34-17-2-1-12(13-3-4-29-30-7-13)5-16(17)20(32-34)21(26)36/h1-5,7-9,15,18H,6,10-11H2,(H2,26,36)(H,27,28,31,37)/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))
BDBM354218
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)Nc2nnc(s2)-c2ccccc2Cl)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C29H23ClFN7O3S/c1-16(39)22-14-37(24-7-6-17(10-21(22)24)18-8-9-32-33-12-18)15-26(40)38-13-19(31)11-25(38)27(41)34-29-36-35-28(42-29)20-4-2-3-5-23(20)30/h2-10,12,14,19,25H,11,13,15H2,1H3,(H,34,36,41)/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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354188
PNG
(1-(2-((2S,4R)-2-(5- bromopyridin-3- ylcarbamoyl)-4...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C23H19BrFN9O3/c24-18-8-27-9-19(30-18)31-23(37)17-6-14(25)10-33(17)20(35)11-34-16-2-1-12(13-3-4-28-29-7-13)5-15(16)21(32-34)22(26)36/h1-5,7-9,14,17H,6,10-11H2,(H2,26,36)(H,30,31,37)/t14-,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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354232
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(2,2,6- trifluorobenzo[d...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cc3OC(F)(F)Oc3cc2F)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H19F4N7O5/c27-14-6-19(25(40)34-17-8-21-20(7-16(17)28)41-26(29,30)42-21)36(10-14)22(38)11-37-18-2-1-12(13-3-4-32-33-9-13)5-15(18)23(35-37)24(31)39/h1-5,7-9,14,19H,6,10-11H2,(H2,31,39)(H,34,40)/t14-,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))
BDBM354152
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)Nc2ccc3ncsc3c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C28H23FN6O3S/c1-16(36)22-13-34(24-5-2-17(8-21(22)24)18-6-7-31-32-11-18)14-27(37)35-12-19(29)9-25(35)28(38)33-20-3-4-23-26(10-20)39-15-30-23/h2-8,10-11,13,15,19,25H,9,12,14H2,1H3,(H,33,38)/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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354262
PNG
(1-(2-((2S,4R)-2-(1-(2- chlorophenyl)-2- oxopiperid...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCCN(C2=O)c2ccccc2Cl)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C30H28ClFN8O4/c31-21-4-1-2-6-24(21)38-11-3-5-22(30(38)44)36-29(43)25-13-19(32)15-39(25)26(41)16-40-23-8-7-17(18-9-10-34-35-14-18)12-20(23)27(37-40)28(33)42/h1-2,4,6-10,12,14,19,22,25H,3,5,11,13,15-16H2,(H2,33,42)(H,36,43)/t19-,22?,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
Complement factor D


(Homo sapiens (Human))
BDBM354263
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES CC(=O)c1cn(CC(=O)C2C[C@H](F)C[C@H]2C(=O)Nc2cc(C)nn2-c2ccccc2F)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C32H28F2N6O3/c1-18-11-31(40(38-18)29-6-4-3-5-27(29)34)37-32(43)25-14-22(33)13-24(25)30(42)17-39-16-26(19(2)41)23-12-20(7-8-28(23)39)21-9-10-35-36-15-21/h3-12,15-16,22,24-25H,13-14,17H2,1-2H3,(H,37,43)/t22-,24?,25+/m0/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))
BDBM353442
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(pyridin-3- ylmethylcarb...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccnc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C25H23FN8O3/c26-18-9-21(25(37)29-11-15-2-1-6-28-10-15)33(13-18)22(35)14-34-20-4-3-16(17-5-7-30-31-12-17)8-19(20)23(32-34)24(27)36/h1-8,10,12,18,21H,9,11,13-14H2,(H2,27,36)(H,29,37)/t18-,21+/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))
BDBM353443
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)NCc2ccncc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C27H25FN6O3/c1-17(35)23-15-33(24-3-2-19(10-22(23)24)20-6-9-31-32-13-20)16-26(36)34-14-21(28)11-25(34)27(37)30-12-18-4-7-29-8-5-18/h2-10,13,15,21,25H,11-12,14,16H2,1H3,(H,30,37)/t21-,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
Complement factor D


(Homo sapiens (Human))
BDBM354141
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES CCN1Cc2ccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Cn3cc(C(C)=O)c4cc(ccc34)-c3ccnnc3)cc2C1=O
Show InChI InChI=1S/C31H29FN6O4/c1-3-36-14-21-4-6-23(12-24(21)31(36)42)35-30(41)28-11-22(32)15-38(28)29(40)17-37-16-26(18(2)39)25-10-19(5-7-27(25)37)20-8-9-33-34-13-20/h4-10,12-13,16,22,28H,3,11,14-15,17H2,1-2H3,(H,35,41)/t22-,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))
BDBM354205
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)Nc2ncc(Br)cn2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C25H21BrFN7O3/c1-14(35)20-12-33(21-3-2-15(6-19(20)21)16-4-5-30-31-8-16)13-23(36)34-11-18(27)7-22(34)24(37)32-25-28-9-17(26)10-29-25/h2-6,8-10,12,18,22H,7,11,13H2,1H3,(H,28,29,32,37)/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))
BDBM354242
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(pyridin-2- ylmethylcarb...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2ccccn2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C25H23FN8O3/c26-17-10-21(25(37)29-12-18-3-1-2-7-28-18)33(13-17)22(35)14-34-20-5-4-15(16-6-8-30-31-11-16)9-19(20)23(32-34)24(27)36/h1-9,11,17,21H,10,12-14H2,(H2,27,36)(H,29,37)/t17-,21+/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))
BDBM354245
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)Nc2ccc3cn[nH]c3c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C28H24FN7O3/c1-16(37)23-14-35(25-5-3-17(8-22(23)25)18-6-7-30-31-11-18)15-27(38)36-13-20(29)9-26(36)28(39)33-21-4-2-19-12-32-34-24(19)10-21/h2-8,10-12,14,20,26H,9,13,15H2,1H3,(H,32,34)(H,33,39)/t20-,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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354147
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)Nc2ccc3[nH]c(C)c(C)c3c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C31H29FN6O3/c1-17-18(2)35-27-6-5-23(12-24(17)27)36-31(41)29-11-22(32)14-38(29)30(40)16-37-15-26(19(3)39)25-10-20(4-7-28(25)37)21-8-9-33-34-13-21/h4-10,12-13,15,22,29,35H,11,14,16H2,1-3H3,(H,36,41)/t22-,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))
BDBM354156
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)NCc2ccc(OCc3ccccc3)nc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C34H31FN6O4/c1-22(42)29-19-40(30-9-8-25(13-28(29)30)26-11-12-38-39-17-26)20-33(43)41-18-27(35)14-31(41)34(44)37-16-24-7-10-32(36-15-24)45-21-23-5-3-2-4-6-23/h2-13,15,17,19,27,31H,14,16,18,20-21H2,1H3,(H,37,44)/t27-,31+/m1/s1
PDB

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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))
BDBM354209
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)N[C@H]2CCCC[C@@H]2O)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C27H30FN5O4/c1-16(34)21-14-32(23-7-6-17(10-20(21)23)18-8-9-29-30-12-18)15-26(36)33-13-19(28)11-24(33)27(37)31-22-4-2-3-5-25(22)35/h6-10,12,14,19,22,24-25,35H,2-5,11,13,15H2,1H3,(H,31,37)/t19-,22+,24+,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
Complement factor D


(Homo sapiens (Human))
BDBM354215
PNG
(1-(2-((2S,4R)-2-(3-(2- chlorophenyl)-1,2,4- thiadi...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2nc(ns2)-c2ccccc2Cl)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C27H21ClFN9O3S/c28-19-4-2-1-3-17(19)25-33-27(42-36-25)34-26(41)21-10-16(29)12-37(21)22(39)13-38-20-6-5-14(15-7-8-31-32-11-15)9-18(20)23(35-38)24(30)40/h1-9,11,16,21H,10,12-13H2,(H2,30,40)(H,33,34,36,41)/t16-,21+/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))
BDBM354226
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(1-(2-fluoro-5- methylph...)
Show SMILES Cc1ccc(F)c(c1)N1CCCC(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3cc(ccc23)-c2ccnnc2)C1=O
Show InChI InChI=1S/C31H30F2N8O4/c1-17-4-6-22(33)25(11-17)39-10-2-3-23(31(39)45)37-30(44)26-13-20(32)15-40(26)27(42)16-41-24-7-5-18(19-8-9-35-36-14-19)12-21(24)28(38-41)29(34)43/h4-9,11-12,14,20,23,26H,2-3,10,13,15-16H2,1H3,(H2,34,43)(H,37,44)/t20-,23?,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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354243
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)NC2CCCN(C2)c2cnn(C)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C30H33FN8O3/c1-19(40)26-17-38(27-6-5-20(10-25(26)27)21-7-8-32-33-12-21)18-29(41)39-14-22(31)11-28(39)30(42)35-23-4-3-9-37(15-23)24-13-34-36(2)16-24/h5-8,10,12-13,16-17,22-23,28H,3-4,9,11,14-15,18H2,1-2H3,(H,35,42)/t22-,23?,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))
BDBM353071
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)NCc2nc3ccccc3s2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C29H25FN6O3S/c1-17(37)22-15-35(24-7-6-18(10-21(22)24)19-8-9-32-33-12-19)16-28(38)36-14-20(30)11-25(36)29(39)31-13-27-34-23-4-2-3-5-26(23)40-27/h2-10,12,15,20,25H,11,13-14,16H2,1H3,(H,31,39)/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
Complement factor D


(Homo sapiens (Human))
BDBM353074
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)NC2CCc3c2c(F)ccc3F)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C30H26F3N5O3/c1-16(39)22-14-37(26-7-2-17(10-21(22)26)18-8-9-34-35-12-18)15-28(40)38-13-19(31)11-27(38)30(41)36-25-6-3-20-23(32)4-5-24(33)29(20)25/h2,4-5,7-10,12,14,19,25,27H,3,6,11,13,15H2,1H3,(H,36,41)/t19-,25?,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))
BDBM354155
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)NCc2cccnc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C27H25FN6O3/c1-17(35)23-15-33(24-5-4-19(9-22(23)24)20-6-8-31-32-13-20)16-26(36)34-14-21(28)10-25(34)27(37)30-12-18-3-2-7-29-11-18/h2-9,11,13,15,21,25H,10,12,14,16H2,1H3,(H,30,37)/t21-,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
Complement factor D


(Homo sapiens (Human))
BDBM354159
PNG
(1-(2-((2S,4R)-2-(2,3- dimethyl-1H-indol-5- ylcarba...)
Show SMILES Cc1[nH]c2ccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Cn3nc(C(N)=O)c4cc(ccc34)-c3ccnnc3)cc2c1C
Show InChI InChI=1S/C29H27FN8O3/c1-15-16(2)34-23-5-4-20(11-21(15)23)35-29(41)25-10-19(30)13-37(25)26(39)14-38-24-6-3-17(18-7-8-32-33-12-18)9-22(24)27(36-38)28(31)40/h3-9,11-12,19,25,34H,10,13-14H2,1-2H3,(H2,31,40)(H,35,41)/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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354167
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(2-(5-methyl-1H- pyrazol...)
Show SMILES Cc1ccnn1-c1ccccc1NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2cc(ccc12)-c1ccnnc1
Show InChI InChI=1S/C29H26FN9O3/c1-17-8-11-34-39(17)24-5-3-2-4-22(24)35-29(42)25-13-20(30)15-37(25)26(40)16-38-23-7-6-18(19-9-10-32-33-14-19)12-21(23)27(36-38)28(31)41/h2-12,14,20,25H,13,15-16H2,1H3,(H2,31,41)(H,35,42)/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
Complement factor D


(Homo sapiens (Human))
BDBM354260
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(pyridin-4- ylmethylcarb...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2ccncc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C25H23FN8O3/c26-18-10-21(25(37)29-11-15-3-6-28-7-4-15)33(13-18)22(35)14-34-20-2-1-16(17-5-8-30-31-12-17)9-19(20)23(32-34)24(27)36/h1-9,12,18,21H,10-11,13-14H2,(H2,27,36)(H,29,37)/t18-,21+/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))
BDBM354219
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)Nc2nnc(s2)-c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C29H22Cl2FN7O3S/c1-15(40)21-13-38(24-5-3-16(8-20(21)24)18-6-7-33-34-11-18)14-26(41)39-12-19(32)10-25(39)27(42)35-29-37-36-28(43-29)17-2-4-22(30)23(31)9-17/h2-9,11,13,19,25H,10,12,14H2,1H3,(H,35,37,42)/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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354256
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES CC1Oc2cccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Cn3cc(C(C)=O)c4cc(ccc34)-c3ccnnc3)c2NC1=O
Show InChI InChI=1S/C30H27FN6O5/c1-16(38)22-14-36(24-7-6-18(10-21(22)24)19-8-9-32-33-12-19)15-27(39)37-13-20(31)11-25(37)30(41)34-23-4-3-5-26-28(23)35-29(40)17(2)42-26/h3-10,12,14,17,20,25H,11,13,15H2,1-2H3,(H,34,41)(H,35,40)/t17?,20-,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
Complement factor D


(Homo sapiens (Human))
BDBM354133
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)Nc2noc3cc(ccc23)C(F)(F)F)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C29H22F4N6O4/c1-15(40)22-13-38(23-5-2-16(8-21(22)23)17-6-7-34-35-11-17)14-26(41)39-12-19(30)10-24(39)28(42)36-27-20-4-3-18(29(31,32)33)9-25(20)43-37-27/h2-9,11,13,19,24H,10,12,14H2,1H3,(H,36,37,42)/t19-,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))
BDBM354142
PNG
(1-(2-((2S,4R)-2- (benzo[d]thiazol-6- ylcarbamoyl)-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc3ncsc3c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H21FN8O3S/c27-16-8-21(26(38)32-17-2-3-19-22(9-17)39-13-29-19)34(11-16)23(36)12-35-20-4-1-14(15-5-6-30-31-10-15)7-18(20)24(33-35)25(28)37/h1-7,9-10,13,16,21H,8,11-12H2,(H2,28,37)(H,32,38)/t16-,21+/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))
BDBM354153
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)Nc2nc(cs2)-c2c(C)nc3sccn23)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C30H25FN8O3S2/c1-16-27(38-7-8-43-30(38)34-16)23-15-44-29(35-23)36-28(42)25-10-20(31)12-39(25)26(41)14-37-13-22(17(2)40)21-9-18(3-4-24(21)37)19-5-6-32-33-11-19/h3-9,11,13,15,20,25H,10,12,14H2,1-2H3,(H,35,36,42)/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
Complement factor D


(Homo sapiens (Human))
BDBM354154
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(4-(6- methylimidazo[2,1...)
Show SMILES Cc1nc2sccn2c1-c1csc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)CC2N=C(C(N)=O)c3cc(ccc23)-c2ccnnc2)n1
Show InChI InChI=1S/C29H24FN9O3S2/c1-14-25(38-6-7-43-29(38)34-14)21-13-44-28(36-21)37-27(42)22-9-17(30)12-39(22)23(40)10-20-18-3-2-15(16-4-5-32-33-11-16)8-19(18)24(35-20)26(31)41/h2-8,11,13,17,20,22H,9-10,12H2,1H3,(H2,31,41)(H,36,37,42)/t17-,20?,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))
BDBM354166
PNG
(1-(2-((2S,4R)-2-(4- (aminomethyl) phenylcarbamoyl)...)
Show SMILES NCc1ccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3cc(ccc23)-c2ccnnc2)cc1
Show InChI InChI=1S/C26H25FN8O3/c27-18-10-22(26(38)32-19-4-1-15(11-28)2-5-19)34(13-18)23(36)14-35-21-6-3-16(17-7-8-30-31-12-17)9-20(21)24(33-35)25(29)37/h1-9,12,18,22H,10-11,13-14,28H2,(H2,29,37)(H,32,38)/t18-,22+/m1/s1
PDB

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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))
BDBM354175
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(methylcarbamoyl) pyrrol...)
Show SMILES CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2cc(ccc12)-c1ccnnc1
Show InChI InChI=1S/C20H20FN7O3/c1-23-20(31)16-7-13(21)9-27(16)17(29)10-28-15-3-2-11(12-4-5-24-25-8-12)6-14(15)18(26-28)19(22)30/h2-6,8,13,16H,7,9-10H2,1H3,(H2,22,30)(H,23,31)/t13-,16+/m1/s1
PDB

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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))
BDBM354190
PNG
(1-(2-((2S,4R)-2-(3- chloro-2- (trifluoromethyl) ph...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)c2C(F)(F)F)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H20ClF4N7O3/c27-17-2-1-3-18(22(17)26(29,30)31)35-25(41)20-9-15(28)11-37(20)21(39)12-38-19-5-4-13(14-6-7-33-34-10-14)8-16(19)23(36-38)24(32)40/h1-8,10,15,20H,9,11-12H2,(H2,32,40)(H,35,41)/t15-,20+/m1/s1
PDB

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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))
BDBM354201
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(2-(pyridin-2- yl)isoind...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc3CN(Cc23)c2ccccn2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C32H28FN9O3/c33-22-13-27(32(45)38-25-5-3-4-21-15-40(17-24(21)25)28-6-1-2-10-35-28)41(16-22)29(43)18-42-26-8-7-19(20-9-11-36-37-14-20)12-23(26)30(39-42)31(34)44/h1-12,14,22,27H,13,15-18H2,(H2,34,44)(H,38,45)/t22-,27+/m1/s1
PDB

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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))
BDBM354204
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(2-(4-fluorophenyl)- 4,5...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCCc3nc(sc23)-c2ccc(F)cc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C32H28F2N8O3S/c33-20-7-4-17(5-8-20)32-39-24-3-1-2-23(29(24)46-32)38-31(45)26-13-21(34)15-41(26)27(43)16-42-25-9-6-18(19-10-11-36-37-14-19)12-22(25)28(40-42)30(35)44/h4-12,14,21,23,26H,1-3,13,15-16H2,(H2,35,44)(H,38,45)/t21-,23?,26+/m1/s1
PDB

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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))
BDBM354208
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)Nc2ccc3ccccc3c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C31H26FN5O3/c1-19(38)27-17-36(28-9-7-22(13-26(27)28)23-10-11-33-34-15-23)18-30(39)37-16-24(32)14-29(37)31(40)35-25-8-6-20-4-2-3-5-21(20)12-25/h2-13,15,17,24,29H,14,16,18H2,1H3,(H,35,40)/t24-,29+/m1/s1
PDB

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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))
BDBM354216
PNG
(1-(2-((2S,4R)-2-(5-(2- chlorophenyl)-1,3,4- thiadi...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2nnc(s2)-c2ccccc2Cl)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C27H21ClFN9O3S/c28-19-4-2-1-3-17(19)26-34-35-27(42-26)33-25(41)21-10-16(29)12-37(21)22(39)13-38-20-6-5-14(15-7-8-31-32-11-15)9-18(20)23(36-38)24(30)40/h1-9,11,16,21H,10,12-13H2,(H2,30,40)(H,33,35,41)/t16-,21+/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))
BDBM354143
PNG
(1-(2-((2S,4R)-2- ((1R,2S)-2- (benzyloxy)cyclopenty...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@@H]2CCCC2OCc2ccccc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C31H32FN7O4/c32-22-14-26(31(42)36-24-7-4-8-27(24)43-18-19-5-2-1-3-6-19)38(16-22)28(40)17-39-25-10-9-20(21-11-12-34-35-15-21)13-23(25)29(37-39)30(33)41/h1-3,5-6,9-13,15,22,24,26-27H,4,7-8,14,16-18H2,(H2,33,41)(H,36,42)/t22-,24-,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))
BDBM354160
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)Nc2ccccc2N2CCOC2=O)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C30H27FN6O5/c1-18(38)23-16-35(25-7-6-19(12-22(23)25)20-8-9-32-33-14-20)17-28(39)37-15-21(31)13-27(37)29(40)34-24-4-2-3-5-26(24)36-10-11-42-30(36)41/h2-9,12,14,16,21,27H,10-11,13,15,17H2,1H3,(H,34,40)/t21-,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))
BDBM354248
PNG
(1-(2-((2S,4R)-4-fluoro- 2-((1R,2R)-2- hydroxycyclo...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@@H]2CCC[C@H]2O)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C24H26FN7O4/c25-15-9-19(24(36)29-17-2-1-3-20(17)33)31(11-15)21(34)12-32-18-5-4-13(14-6-7-27-28-10-14)8-16(18)22(30-32)23(26)35/h4-8,10,15,17,19-20,33H,1-3,9,11-12H2,(H2,26,35)(H,29,36)/t15-,17-,19+,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))
BDBM354257
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(4-hydroxypyridin-2- ylc...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cc(O)ccn2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C24H21FN8O4/c25-15-8-19(24(37)30-20-9-16(34)4-5-27-20)32(11-15)21(35)12-33-18-2-1-13(14-3-6-28-29-10-14)7-17(18)22(31-33)23(26)36/h1-7,9-10,15,19H,8,11-12H2,(H2,26,36)(H2,27,30,34,37)/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))
BDBM354259
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)Nc2c[nH]nc2-c2ccc(Cl)cc2Cl)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C30H24Cl2FN7O3/c1-16(41)23-14-39(26-5-2-17(8-22(23)26)18-6-7-34-35-11-18)15-28(42)40-13-20(33)10-27(40)30(43)37-25-12-36-38-29(25)21-4-3-19(31)9-24(21)32/h2-9,11-12,14,20,27H,10,13,15H2,1H3,(H,36,38)(H,37,43)/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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354145
PNG
(1-(2-((2S,4R)-2- (benzo[d]thiazol-2- ylmethylcarba...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2nc3ccccc3s2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C27H23FN8O3S/c28-17-10-21(27(39)30-12-23-33-19-3-1-2-4-22(19)40-23)35(13-17)24(37)14-36-20-6-5-15(16-7-8-31-32-11-16)9-18(20)25(34-36)26(29)38/h1-9,11,17,21H,10,12-14H2,(H2,29,38)(H,30,39)/t17-,21+/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))
BDBM354182
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)Nc2ccc(CN)cc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C28H27FN6O3/c1-17(36)24-15-34(25-7-4-19(10-23(24)25)20-8-9-31-32-13-20)16-27(37)35-14-21(29)11-26(35)28(38)33-22-5-2-18(12-30)3-6-22/h2-10,13,15,21,26H,11-12,14,16,30H2,1H3,(H,33,38)/t21-,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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354214
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(5-methyl-2- (trifluorom...)
Show SMILES Cc1cc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3cc(ccc23)-c2ccnnc2)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C26H21F4N11O3/c1-12-6-19(41-25(34-12)36-24(38-41)26(28,29)30)35-23(44)18-8-15(27)10-39(18)20(42)11-40-17-3-2-13(14-4-5-32-33-9-14)7-16(17)21(37-40)22(31)43/h2-7,9,15,18H,8,10-11H2,1H3,(H2,31,43)(H,35,44)/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))
BDBM354246
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)N[C@@H]2CCC[C@H]2O)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H28FN5O4/c1-15(33)20-13-31(22-6-5-16(9-19(20)22)17-7-8-28-29-11-17)14-25(35)32-12-18(27)10-23(32)26(36)30-21-3-2-4-24(21)34/h5-9,11,13,18,21,23-24,34H,2-4,10,12,14H2,1H3,(H,30,36)/t18-,21-,23+,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))
BDBM354165
PNG
(1-(2-((2S,4R)-2-(5-(3,4- dichlorophenyl)-1,3,4- th...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2nnc(s2)-c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C27H20Cl2FN9O3S/c28-18-3-1-14(8-19(18)29)26-35-36-27(43-26)34-25(42)21-9-16(30)11-38(21)22(40)12-39-20-4-2-13(15-5-6-32-33-10-15)7-17(20)23(37-39)24(31)41/h1-8,10,16,21H,9,11-12H2,(H2,31,41)(H,34,36,42)/t16-,21+/m1/s1
PDB

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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))
BDBM354169
PNG
(1-(2-((2S,4R)-2-(6- (benzyloxy)pyridin-2- ylcarbam...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OCc3ccccc3)n2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C31H27FN8O4/c32-22-14-25(31(43)37-26-7-4-8-27(36-26)44-18-19-5-2-1-3-6-19)39(16-22)28(41)17-40-24-10-9-20(21-11-12-34-35-15-21)13-23(24)29(38-40)30(33)42/h1-13,15,22,25H,14,16-18H2,(H2,33,42)(H,36,37,43)/t22-,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
Complement factor D


(Homo sapiens (Human))
BDBM354170
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)N[C@H]2CCCC[C@@H]2OCc2ccccc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C34H36FN5O4/c1-22(41)28-19-39(30-12-11-24(15-27(28)30)25-13-14-36-37-17-25)20-33(42)40-18-26(35)16-31(40)34(43)38-29-9-5-6-10-32(29)44-21-23-7-3-2-4-8-23/h2-4,7-8,11-15,17,19,26,29,31-32H,5-6,9-10,16,18,20-21H2,1H3,(H,38,43)/t26-,29+,31+,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))
BDBM354203
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)NC2CCCc3nc(sc23)-c2ccc(F)cc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C34H30F2N6O3S/c1-19(43)26-17-41(29-10-7-21(13-25(26)29)22-11-12-37-38-15-22)18-31(44)42-16-24(36)14-30(42)33(45)39-27-3-2-4-28-32(27)46-34(40-28)20-5-8-23(35)9-6-20/h5-13,15,17,24,27,30H,2-4,14,16,18H2,1H3,(H,39,45)/t24-,27?,30+/m1/s1
PDB

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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))
BDBM354228
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)c2C(F)(F)F)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C28H22ClF4N5O3/c1-15(39)20-13-37(23-6-5-16(9-19(20)23)17-7-8-34-35-11-17)14-25(40)38-12-18(30)10-24(38)27(41)36-22-4-2-3-21(29)26(22)28(31,32)33/h2-9,11,13,18,24H,10,12,14H2,1H3,(H,36,41)/t18-,24+/m1/s1
PDB

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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))
BDBM353552
PNG
(1-(2-((2S,4R)-2-(2- (benzo[d]thiazol-2- yl)phenylc...)
Show SMILES NC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccccc2-c2nc3ccccc3s2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C33H26FN7O3S/c34-21-14-28(32(44)38-25-6-2-1-5-22(25)33-39-26-7-3-4-8-29(26)45-33)41(16-21)30(42)18-40-17-24(31(35)43)23-13-19(9-10-27(23)40)20-11-12-36-37-15-20/h1-13,15,17,21,28H,14,16,18H2,(H2,35,43)(H,38,44)/t21-,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))
BDBM354168
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)Nc2ccccc2-n2nccc2C)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C31H28FN7O3/c1-19-9-12-35-39(19)28-6-4-3-5-26(28)36-31(42)29-14-23(32)16-38(29)30(41)18-37-17-25(20(2)40)24-13-21(7-8-27(24)37)22-10-11-33-34-15-22/h3-13,15,17,23,29H,14,16,18H2,1-2H3,(H,36,42)/t23-,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))
BDBM354173
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)N[C@H]2CCC[C@@H]2OCc2ccccc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C33H34FN5O4/c1-21(40)27-18-38(29-11-10-23(14-26(27)29)24-12-13-35-36-16-24)19-32(41)39-17-25(34)15-30(39)33(42)37-28-8-5-9-31(28)43-20-22-6-3-2-4-7-22/h2-4,6-7,10-14,16,18,25,28,30-31H,5,8-9,15,17,19-20H2,1H3,(H,37,42)/t25-,28+,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))
BDBM354183
PNG
(1-(2-((2S,4R)-2-(1H- indazol-6- ylcarbamoyl)-4- fl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc3cn[nH]c3c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H22FN9O3/c27-17-8-22(26(39)32-18-3-1-16-11-31-33-20(16)9-18)35(12-17)23(37)13-36-21-4-2-14(15-5-6-29-30-10-15)7-19(21)24(34-36)25(28)38/h1-7,9-11,17,22H,8,12-13H2,(H2,28,38)(H,31,33)(H,32,39)/t17-,22+/m1/s1
PDB

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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))
BDBM354192
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)c2-n2cncn2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C29H24ClFN8O3/c1-17(40)22-13-37(25-6-5-18(9-21(22)25)19-7-8-33-34-11-19)14-27(41)38-12-20(31)10-26(38)29(42)36-24-4-2-3-23(30)28(24)39-16-32-15-35-39/h2-9,11,13,15-16,20,26H,10,12,14H2,1H3,(H,36,42)/t20-,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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354194
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)Nc2cc(C)nc3nc(nn23)C(F)(F)F)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C28H23F4N9O3/c1-14-7-23(41-27(35-14)37-26(38-41)28(30,31)32)36-25(44)22-9-18(29)11-40(22)24(43)13-39-12-20(15(2)42)19-8-16(3-4-21(19)39)17-5-6-33-34-10-17/h3-8,10,12,18,22H,9,11,13H2,1-2H3,(H,36,44)/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))
BDBM354195
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(2-(4-methyl-4H- 1,2,4-t...)
Show SMILES CN1C=NC=[N]1c1ccccc1NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2cc(ccc12)-c1ccnnc1
Show InChI InChI=1S/C28H26FN10O3/c1-36-15-31-16-39(36)23-5-3-2-4-21(23)34-28(42)24-11-19(29)13-37(24)25(40)14-38-22-7-6-17(18-8-9-32-33-12-18)10-20(22)26(35-38)27(30)41/h2-10,12,15-16,19,24H,11,13-14H2,1H3,(H2,30,41)(H,34,42)/t19-,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))
BDBM354233
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(naphthalen-2- ylcarbamo...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc3ccccc3c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C29H24FN7O3/c30-21-13-25(29(40)34-22-7-5-17-3-1-2-4-18(17)11-22)36(15-21)26(38)16-37-24-8-6-19(20-9-10-32-33-14-20)12-23(24)27(35-37)28(31)39/h1-12,14,21,25H,13,15-16H2,(H2,31,39)(H,34,40)/t21-,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
Complement factor D


(Homo sapiens (Human))
BDBM354249
PNG
(1-(2-((2S,4R)-2-(3-(3- chlorophenyl)-1,2,4- thiadi...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2nc(ns2)-c2cccc(Cl)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C27H21ClFN9O3S/c28-17-3-1-2-15(8-17)25-33-27(42-36-25)34-26(41)21-10-18(29)12-37(21)22(39)13-38-20-5-4-14(16-6-7-31-32-11-16)9-19(20)23(35-38)24(30)40/h1-9,11,18,21H,10,12-13H2,(H2,30,40)(H,33,34,36,41)/t18-,21+/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))
BDBM354250
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)Nc2nc(ns2)-c2cccc(Cl)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C29H23ClFN7O3S/c1-16(39)23-14-37(24-6-5-17(10-22(23)24)19-7-8-32-33-12-19)15-26(40)38-13-21(31)11-25(38)28(41)35-29-34-27(36-42-29)18-3-2-4-20(30)9-18/h2-10,12,14,21,25H,11,13,15H2,1H3,(H,34,35,36,41)/t21-,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
Complement factor D


(Homo sapiens (Human))
BDBM354138
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(pyridin-3- ylcarbamoyl)...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccnc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C24H21FN8O3/c25-16-9-20(24(36)30-17-2-1-6-27-11-17)32(12-16)21(34)13-33-19-4-3-14(15-5-7-28-29-10-15)8-18(19)22(31-33)23(26)35/h1-8,10-11,16,20H,9,12-13H2,(H2,26,35)(H,30,36)/t16-,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))
BDBM354151
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(4-(5,6,7,8- tetrahydron...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2nc(cs2)-c2ccc3CCCCc3c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C32H29FN8O3S/c33-23-13-27(31(44)38-32-37-25(17-45-32)21-6-5-18-3-1-2-4-19(18)11-21)40(15-23)28(42)16-41-26-8-7-20(22-9-10-35-36-14-22)12-24(26)29(39-41)30(34)43/h5-12,14,17,23,27H,1-4,13,15-16H2,(H2,34,43)(H,37,38,44)/t23-,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))
BDBM354157
PNG
((9H-fluoren-9- yl)methyl(4-((2S,4R)- 1-(2-(3-acety...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc(CNC(=O)OCC3c4ccccc4-c4ccccc34)cc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C43H37FN6O5/c1-26(51)37-23-49(39-15-12-28(18-36(37)39)29-16-17-46-47-21-29)24-41(52)50-22-30(44)19-40(50)42(53)48-31-13-10-27(11-14-31)20-45-43(54)55-25-38-34-8-4-2-6-32(34)33-7-3-5-9-35(33)38/h2-18,21,23,30,38,40H,19-20,22,24-25H2,1H3,(H,45,54)(H,48,53)/t30-,40+/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))
BDBM354189
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(4-fluoro-3-(6,7,8,9- te...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc(F)c(c2)-c2nnc3CCCCCn23)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C32H30F2N10O3/c33-20-13-26(32(47)38-21-6-7-24(34)22(14-21)31-40-39-27-4-2-1-3-11-42(27)31)43(16-20)28(45)17-44-25-8-5-18(19-9-10-36-37-15-19)12-23(25)29(41-44)30(35)46/h5-10,12,14-15,20,26H,1-4,11,13,16-17H2,(H2,35,46)(H,38,47)/t20-,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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354191
PNG
(1-(2-((2S,4R)-2-(3-(2,4- dichlorophenyl)-1H- pyraz...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2c[nH]nc2-c2ccc(Cl)cc2Cl)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C28H22Cl2FN9O3/c29-16-2-3-18(20(30)8-16)25-21(11-35-37-25)36-28(43)23-9-17(31)12-39(23)24(41)13-40-22-4-1-14(15-5-6-33-34-10-15)7-19(22)26(38-40)27(32)42/h1-8,10-11,17,23H,9,12-13H2,(H2,32,42)(H,35,37)(H,36,43)/t17-,23+/m1/s1
PDB

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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))
BDBM354213
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(6-(trifluoromethyl) ben...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2noc3cc(ccc23)C(F)(F)F)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C27H20F4N8O4/c28-16-9-20(26(42)35-25-17-3-2-15(27(29,30)31)8-21(17)43-37-25)38(11-16)22(40)12-39-19-4-1-13(14-5-6-33-34-10-14)7-18(19)23(36-39)24(32)41/h1-8,10,16,20H,9,11-12H2,(H2,32,41)(H,35,37,42)/t16-,20+/m1/s1
PDB

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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))
BDBM354225
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES COc1cc(C)cc2C(CCOc12)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1cc(C(C)=O)c2cc(ccc12)-c1ccnnc1
Show InChI InChI=1S/C32H32FN5O5/c1-18-10-24-26(7-9-43-31(24)29(11-18)42-3)36-32(41)28-13-22(33)15-38(28)30(40)17-37-16-25(19(2)39)23-12-20(4-5-27(23)37)21-6-8-34-35-14-21/h4-6,8,10-12,14,16,22,26,28H,7,9,13,15,17H2,1-3H3,(H,36,41)/t22-,26?,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))
BDBM354261
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(1-(2-fluorophenyl)- 3-m...)
Show SMILES Cc1cc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3cc(ccc23)-c2ccnnc2)n(n1)-c1ccccc1F
Show InChI InChI=1S/C29H25F2N9O3/c1-16-10-25(40(36-16)23-5-3-2-4-21(23)31)35-29(43)24-12-19(30)14-38(24)26(41)15-39-22-7-6-17(18-8-9-33-34-13-18)11-20(22)27(37-39)28(32)42/h2-11,13,19,24H,12,14-15H2,1H3,(H2,32,42)(H,35,43)/t19-,24+/m1/s1
PDB

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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))
BDBM353070
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)Nc2ccccc2-c2nc3ccccc3s2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C34H27FN6O3S/c1-20(42)26-18-40(29-11-10-21(14-25(26)29)22-12-13-36-37-16-22)19-32(43)41-17-23(35)15-30(41)33(44)38-27-7-3-2-6-24(27)34-39-28-8-4-5-9-31(28)45-34/h2-14,16,18,23,30H,15,17,19H2,1H3,(H,38,44)/t23-,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))
BDBM354139
PNG
(1-(2-((2S,4R)-2-(2- ethyl-3-oxoisoindolin- 5-ylcar...)
Show SMILES CCN1Cc2ccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Cn3nc(C(N)=O)c4cc(ccc34)-c3ccnnc3)cc2C1=O
Show InChI InChI=1S/C29H27FN8O4/c1-2-36-13-18-3-5-20(11-21(18)29(36)42)34-28(41)24-10-19(30)14-37(24)25(39)15-38-23-6-4-16(17-7-8-32-33-12-17)9-22(23)26(35-38)27(31)40/h3-9,11-12,19,24H,2,10,13-15H2,1H3,(H2,31,40)(H,34,41)/t19-,24+/m1/s1
PDB

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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))
BDBM354149
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)Nc2nc(cs2)-c2ccc3CCCCc3c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C34H31FN6O3S/c1-20(42)28-17-40(30-9-8-23(13-27(28)30)25-10-11-36-37-15-25)18-32(43)41-16-26(35)14-31(41)33(44)39-34-38-29(19-45-34)24-7-6-21-4-2-3-5-22(21)12-24/h6-13,15,17,19,26,31H,2-5,14,16,18H2,1H3,(H,38,39,44)/t26-,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))
BDBM354161
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(2-(2-oxooxazolidin- 3-y...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccccc2N2CCOC2=O)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C28H25FN8O5/c29-18-12-23(27(40)33-20-3-1-2-4-22(20)35-9-10-42-28(35)41)36(14-18)24(38)15-37-21-6-5-16(17-7-8-31-32-13-17)11-19(21)25(34-37)26(30)39/h1-8,11,13,18,23H,9-10,12,14-15H2,(H2,30,39)(H,33,40)/t18-,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))
BDBM354174
PNG
(1-(2-((2S,4R)-2- ((1S),2S)-2-(benzyloxy) cyclohexy...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C32H34FN7O4/c33-23-15-27(32(43)37-25-8-4-5-9-28(25)44-19-20-6-2-1-3-7-20)39(17-23)29(41)18-40-26-11-10-21(22-12-13-35-36-16-22)14-24(26)30(38-40)31(34)42/h1-3,6-7,10-14,16,23,25,27-28H,4-5,8-9,15,17-19H2,(H2,34,42)(H,37,43)/t23-,25+,27+,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))
BDBM354193
PNG
(1-(2-((2S,4R)-2-(3- chloro-2-(1H-1,2,4- triazol-1-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)c2-n2cncn2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C27H22ClFN10O3/c28-19-2-1-3-20(25(19)39-14-31-13-34-39)35-27(42)22-9-17(29)11-37(22)23(40)12-38-21-5-4-15(16-6-7-32-33-10-16)8-18(21)24(36-38)26(30)41/h1-8,10,13-14,17,22H,9,11-12H2,(H2,30,41)(H,35,42)/t17-,22+/m1/s1
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US Patent
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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))
BDBM354224
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(8-methoxy-6- methylchro...)
Show SMILES COc1cc(C)cc2C(CCOc12)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2cc(ccc12)-c1ccnnc1
Show InChI InChI=1S/C30H30FN7O5/c1-16-9-20-22(6-8-43-28(20)25(10-16)42-2)35-30(41)24-12-19(31)14-37(24)26(39)15-38-23-4-3-17(18-5-7-33-34-13-18)11-21(23)27(36-38)29(32)40/h3-5,7,9-11,13,19,22,24H,6,8,12,14-15H2,1-2H3,(H2,32,40)(H,35,41)/t19-,22?,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))
BDBM354244
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(1-(1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(cn1)N1CCCC(C1)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2cc(ccc12)-c1ccnnc1
Show InChI InChI=1S/C28H31FN10O3/c1-36-15-21(12-33-36)37-8-2-3-20(14-37)34-28(42)24-10-19(29)13-38(24)25(40)16-39-23-5-4-17(18-6-7-31-32-11-18)9-22(23)26(35-39)27(30)41/h4-7,9,11-12,15,19-20,24H,2-3,8,10,13-14,16H2,1H3,(H2,30,41)(H,34,42)/t19-,20?,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))
BDBM354247
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(O)n2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H23FN6O4/c1-15(34)20-13-32(21-6-5-16(9-19(20)21)17-7-8-28-29-11-17)14-25(36)33-12-18(27)10-22(33)26(37)31-23-3-2-4-24(35)30-23/h2-9,11,13,18,22H,10,12,14H2,1H3,(H2,30,31,35,37)/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))
BDBM354255
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(2-methyl-3-oxo-3,4- dih...)
Show SMILES CC1Oc2cccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Cn3nc(C(N)=O)c4cc(ccc34)-c3ccnnc3)c2NC1=O
Show InChI InChI=1S/C28H25FN8O5/c1-14-27(40)34-25-19(3-2-4-22(25)42-14)33-28(41)21-10-17(29)12-36(21)23(38)13-37-20-6-5-15(16-7-8-31-32-11-16)9-18(20)24(35-37)26(30)39/h2-9,11,14,17,21H,10,12-13H2,1H3,(H2,30,39)(H,33,41)(H,34,40)/t14?,17-,21+/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))
BDBM354258
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(1-(1-methyl-1H- pyrazol...)
Show SMILES Cn1ccc(n1)N1CCC(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3cc(ccc23)-c2ccnnc2)C1=O
Show InChI InChI=1S/C27H27FN10O4/c1-35-8-6-22(33-35)36-9-5-19(27(36)42)32-26(41)21-11-17(28)13-37(21)23(39)14-38-20-3-2-15(16-4-7-30-31-12-16)10-18(20)24(34-38)25(29)40/h2-4,6-8,10,12,17,19,21H,5,9,11,13-14H2,1H3,(H2,29,40)(H,32,41)/t17-,19?,21+/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))
BDBM354202
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)Nc2cccc3CN(Cc23)c2ccccn2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C34H30FN7O3/c1-21(43)27-18-40(30-9-8-22(13-26(27)30)23-10-12-37-38-15-23)20-33(44)42-17-25(35)14-31(42)34(45)39-29-6-4-5-24-16-41(19-28(24)29)32-7-2-3-11-36-32/h2-13,15,18,25,31H,14,16-17,19-20H2,1H3,(H,39,45)/t25-,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
* indicates data uncertainty>20%