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Patent code US9758537

Compile Data Set for Download or QSAR
Found 116 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Factor D


(Homo sapiens (Human))
BDBM340120
PNG
((2S,3aS,7aS)-1-(2-(3- acetyl-1H-indol-1- yl)acetyl...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H](C[C@@H]3CCCC[C@H]23)C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C28H29ClFN3O3/c1-17(34)21-15-32(24-12-5-3-9-20(21)24)16-26(35)33-23-11-4-2-7-18(23)13-25(33)28(36)31-14-19-8-6-10-22(29)27(19)30/h3,5-6,8-10,12,15,18,23,25H,2,4,7,11,13-14,16H2,1H3,(H,31,36)/t18-,23-,25-/m0/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340222
PNG
((2S)-1-(2-(3-acetyl-6- hydroxy-1H-indol-1- yl)acet...)
Show SMILES CC(=O)c1cn(CC(=O)N2CC(F)C(OCC3CC3)[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(O)ccc12
Show InChI InChI=1S/C28H28ClF2N3O5/c1-15(35)20-11-33(23-9-18(36)7-8-19(20)23)13-24(37)34-12-22(30)27(39-14-16-5-6-16)26(34)28(38)32-10-17-3-2-4-21(29)25(17)31/h2-4,7-9,11,16,22,26-27,36H,5-6,10,12-14H2,1H3,(H,32,38)/t22?,26-,27?/m0/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340244
PNG
((2S,4R)-1-(2-(3- acetamido-1H-indol-1- yl)acetyl)-...)
Show SMILES CC(=O)Nc1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C24H23ClF2N4O3/c1-14(32)29-19-12-30(20-8-3-2-6-17(19)20)13-22(33)31-11-16(26)9-21(31)24(34)28-10-15-5-4-7-18(25)23(15)27/h2-8,12,16,21H,9-11,13H2,1H3,(H,28,34)(H,29,32)/t16-,21+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340251
PNG
((2S,4R)-N2-(3-chloro- 2-fluorobenzyl)-N1-(1- (cycl...)
Show SMILES F[C@@H]1C[C@H](N(C1)C(=O)Nc1cn(C(=O)C2CC2)c2ccccc12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C25H23ClF2N4O3/c26-18-6-3-4-15(22(18)28)11-29-23(33)21-10-16(27)12-32(21)25(35)30-19-13-31(24(34)14-8-9-14)20-7-2-1-5-17(19)20/h1-7,13-14,16,21H,8-12H2,(H,29,33)(H,30,35)/t16-,21+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340258
PNG
(US9758537, Compound 61 | diethyl 3-(((2S,4R)-1- (2...)
Show SMILES CCOP(=O)(OCC)c1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2cc(C(C)=O)c3ccccc23)c1
Show InChI InChI=1S/C28H31ClF2N3O6P/c1-4-39-41(38,40-5-2)20-10-18(27(31)23(29)12-20)13-32-28(37)25-11-19(30)14-34(25)26(36)16-33-15-22(17(3)35)21-8-6-7-9-24(21)33/h6-10,12,15,19,25H,4-5,11,13-14,16H2,1-3H3,(H,32,37)/t19-,25+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340259
PNG
((2S,3aR,6aR)-1-(2-(3- acetyl-6-hydroxy-1H- indol-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3CCC[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(O)ccc12
Show InChI InChI=1S/C27H27ClFN3O4/c1-15(33)20-13-31(23-11-18(34)8-9-19(20)23)14-25(35)32-22-7-3-4-16(22)10-24(32)27(36)30-12-17-5-2-6-21(28)26(17)29/h2,5-6,8-9,11,13,16,22,24,34H,3-4,7,10,12,14H2,1H3,(H,30,36)/t16-,22-,24+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340294
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)c2CCCCc12
Show InChI InChI=1S/C27H26ClF2N5O3/c28-19-9-3-1-6-16(19)17-8-5-10-20(24(17)30)32-27(38)22-12-15(29)13-34(22)23(36)14-35-21-11-4-2-7-18(21)25(33-35)26(31)37/h1,3,5-6,8-10,15,22H,2,4,7,11-14H2,(H2,31,37)(H,32,38)/t15-,22+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340304
PNG
(1-(2-((2S,4R)-2-(5'- acetyl-2'-chloro-2- fluorobip...)
Show SMILES CC(=O)c1ccc(Cl)c(c1)-c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3ccccc23)c1F
Show InChI InChI=1S/C29H24ClF2N5O4/c1-15(38)16-9-10-21(30)20(11-16)18-6-4-7-22(26(18)32)34-29(41)24-12-17(31)13-36(24)25(39)14-37-23-8-3-2-5-19(23)27(35-37)28(33)40/h2-11,17,24H,12-14H2,1H3,(H2,33,40)(H,34,41)/t17-,24+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340307
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2-fluoro-5'- (trifluor...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2cc(OC(F)(F)F)ccc2Cl)c2ccccc12
Show InChI InChI=1S/C28H21ClF5N5O4/c29-19-9-8-15(43-28(32,33)34)11-18(19)16-5-3-6-20(24(16)31)36-27(42)22-10-14(30)12-38(22)23(40)13-39-21-7-2-1-4-17(21)25(37-39)26(35)41/h1-9,11,14,22H,10,12-13H2,(H2,35,41)(H,36,42)/t14-,22+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340221
PNG
((2S,4R)-N-(3-chloro-2- fluorobenzyl)-1-(2-(3- (cyc...)
Show SMILES F[C@@H]1C[C@H](N(C1)C(=O)Cn1cc(C(=O)C2CC2)c2ccccc12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C26H24ClF2N3O3/c27-20-6-3-4-16(24(20)29)11-30-26(35)22-10-17(28)12-32(22)23(33)14-31-13-19(25(34)15-8-9-15)18-5-1-2-7-21(18)31/h1-7,13,15,17,22H,8-12,14H2,(H,30,35)/t17-,22+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340233
PNG
((2S,4R)-N-(3-chloro-2- fluorobenzyl)-1-(2-(3- cyan...)
Show SMILES F[C@@H]1C[C@H](N(C1)C(=O)Cn1cc(C#N)c2ccccc12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C23H19ClF2N4O2/c24-18-6-3-4-14(22(18)26)10-28-23(32)20-8-16(25)12-30(20)21(31)13-29-11-15(9-27)17-5-1-2-7-19(17)29/h1-7,11,16,20H,8,10,12-13H2,(H,28,32)/t16-,20+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340270
PNG
((2S,4R)-1-(2-(3-(1H- pyrazol-4-yl)-1H- pyrazolo[3,...)
Show SMILES F[C@@H]1C[C@H](N(C1)C(=O)Cn1nc(-c2cn[nH]c2)c2ccncc12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C23H20ClF2N7O2/c24-17-3-1-2-13(21(17)26)7-28-23(35)18-6-15(25)11-32(18)20(34)12-33-19-10-27-5-4-16(19)22(31-33)14-8-29-30-9-14/h1-5,8-10,15,18H,6-7,11-12H2,(H,28,35)(H,29,30)/t15-,18+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340271
PNG
((2S,4R)-N-(3-chloro-2- fluorobenzyl)-4-fluoro- 1-(...)
Show SMILES F[C@@H]1C[C@H](N(C1)C(=O)Cn1nc(C(F)=C)c2ccncc12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H19ClF3N5O2/c1-12(24)21-15-5-6-27-9-18(15)31(29-21)11-19(32)30-10-14(25)7-17(30)22(33)28-8-13-3-2-4-16(23)20(13)26/h2-6,9,14,17H,1,7-8,10-11H2,(H,28,33)/t14-,17+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340273
PNG
((2S,4R)-N-(3-chloro-2- fluorobenzyl)-4-fluoro- 1-(...)
Show SMILES NS(=O)(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C22H21ClF2N4O4S/c23-16-6-3-4-13(21(16)25)9-27-22(31)18-8-14(24)10-29(18)20(30)12-28-11-19(34(26,32)33)15-5-1-2-7-17(15)28/h1-7,11,14,18H,8-10,12H2,(H,27,31)(H2,26,32,33)/t14-,18+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340274
PNG
((1R,3S,5R)-2-(2-(4- bromo-3-carbamoyl- 1H-pyrazol-...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)cc1Br
Show InChI InChI=1S/C24H20BrClFN5O3/c25-15-10-31(30-22(15)23(28)34)11-20(33)32-18-8-12(18)9-19(32)24(35)29-17-7-3-5-14(21(17)27)13-4-1-2-6-16(13)26/h1-7,10,12,18-19H,8-9,11H2,(H2,28,34)(H,29,35)/t12-,18-,19+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340277
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2,4',5'- trifluorobiph...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2cc(F)c(F)cc2Cl)c2ccccc12
Show InChI InChI=1S/C27H20ClF4N5O3/c28-17-10-19(31)18(30)9-16(17)14-5-3-6-20(24(14)32)34-27(40)22-8-13(29)11-36(22)23(38)12-37-21-7-2-1-4-15(21)25(35-37)26(33)39/h1-7,9-10,13,22H,8,11-12H2,(H2,33,39)(H,34,40)/t13-,22+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340285
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2,3',5'- trifluorobiph...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2cc(F)cc(F)c2Cl)c2ccccc12
Show InChI InChI=1S/C27H20ClF4N5O3/c28-23-17(8-13(29)9-18(23)31)15-5-3-6-19(24(15)32)34-27(40)21-10-14(30)11-36(21)22(38)12-37-20-7-2-1-4-16(20)25(35-37)26(33)39/h1-9,14,21H,10-12H2,(H2,33,39)(H,34,40)/t14-,21+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340295
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)c2C3=NC(=NC3C=Cc12)c1cccc(Cl)c1
Show InChI InChI=1S/C27H21BrClFN8O3/c28-19-5-2-6-20(33-19)34-27(41)18-10-15(30)11-37(18)21(39)12-38-24-16(22(36-38)25(31)40)7-8-17-23(24)35-26(32-17)13-3-1-4-14(29)9-13/h1-9,15,17-18H,10-12H2,(H2,31,40)(H,33,34,41)/t15-,17?,18+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340309
PNG
(1-(2-((2S,4R)-2-(3-(4- chloro-1H- benzo[d]imidazol...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccc3[nH]cnc3c2Cl)c2ccccc12
Show InChI InChI=1S/C28H22ClF2N7O3/c29-23-15(8-9-19-26(23)34-13-33-19)16-5-3-6-18(24(16)31)35-28(41)21-10-14(30)11-37(21)22(39)12-38-20-7-2-1-4-17(20)25(36-38)27(32)40/h1-9,13-14,21H,10-12H2,(H2,32,40)(H,33,34)(H,35,41)/t14-,21+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340219
PNG
((1R,3S,5R)-N-(3- chloro-2-fluorobenzyl)- 2-(2-(3- ...)
Show SMILES Fc1c(Cl)cccc1CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1cc(C(=O)C2CC2)c2ccccc12
Show InChI InChI=1S/C27H25ClFN3O3/c28-20-6-3-4-16(25(20)29)12-30-27(35)23-11-17-10-22(17)32(23)24(33)14-31-13-19(26(34)15-8-9-15)18-5-1-2-7-21(18)31/h1-7,13,15,17,22-23H,8-12,14H2,(H,30,35)/t17-,22-,23+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340242
PNG
((2S,4R)-1-(2-(3-acetyl- 1H-pyrazolo[3,4- c]pyridin...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(SC(F)(F)F)c2)c2cnccc12
Show InChI InChI=1S/C22H19F4N5O3S/c1-12(32)20-16-5-6-27-9-18(16)31(29-20)11-19(33)30-10-13(23)7-17(30)21(34)28-14-3-2-4-15(8-14)35-22(24,25)26/h2-6,8-9,13,17H,7,10-11H2,1H3,(H,28,34)/t13-,17+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340283
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2,3',4'- trifluorobiph...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccc(F)c(F)c2Cl)c2ccccc12
Show InChI InChI=1S/C27H20ClF4N5O3/c28-22-14(8-9-17(30)24(22)32)15-5-3-6-18(23(15)31)34-27(40)20-10-13(29)11-36(20)21(38)12-37-19-7-2-1-4-16(19)25(35-37)26(33)39/h1-9,13,20H,10-12H2,(H2,33,39)(H,34,40)/t13-,20+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340306
PNG
(N-(1-(3-acetyl-1-(2- ((2S,4R)-2-(6- bromopyridin-2...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C1(CC1)NC(=O)c1ncccn1
Show InChI InChI=1S/C30H27BrFN7O4/c1-17(40)21-15-38(16-26(41)39-14-19(32)13-23(39)28(42)36-25-5-2-4-24(31)35-25)22-7-6-18(12-20(21)22)30(8-9-30)37-29(43)27-33-10-3-11-34-27/h2-7,10-12,15,19,23H,8-9,13-14,16H2,1H3,(H,37,43)(H,35,36,42)/t19-,23+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340313
PNG
((2S,4R)-1-(2-(3- carbamoyl-1H- pyrazolo[3,4-c]pyri...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnccc12
Show InChI InChI=1S/C21H19ClF2N6O3/c22-14-3-1-2-11(18(14)24)7-27-21(33)15-6-12(23)9-29(15)17(31)10-30-16-8-26-5-4-13(16)19(28-30)20(25)32/h1-5,8,12,15H,6-7,9-10H2,(H2,25,32)(H,27,33)/t12-,15+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340234
PNG
((2S,4R)-N-(3-chloro-2- fluorobenzyl)-4-fluoro- 1-(...)
Show SMILES F[C@@H]1C[C@H](N(C1)C(=O)Cn1c2CCCC(=O)c2c2ccccc12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C26H24ClF2N3O3/c27-18-7-3-5-15(25(18)29)12-30-26(35)21-11-16(28)13-32(21)23(34)14-31-19-8-2-1-6-17(19)24-20(31)9-4-10-22(24)33/h1-3,5-8,16,21H,4,9-14H2,(H,30,35)/t16-,21+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340260
PNG
(3-(((2S,4R)-1-(2-(3- acetyl-1H-indol-1- yl)acetyl)...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cc(cc(Cl)c2F)P(O)(O)=O)c2ccccc12
Show InChI InChI=1S/C24H23ClF2N3O6P/c1-13(31)18-11-29(20-5-3-2-4-17(18)20)12-22(32)30-10-15(26)7-21(30)24(33)28-9-14-6-16(37(34,35)36)8-19(25)23(14)27/h2-6,8,11,15,21H,7,9-10,12H2,1H3,(H,28,33)(H2,34,35,36)/t15-,21+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340288
PNG
((2S,4R)-1-(2-(3-acetyl- 4-cyano-1H-indol-1- yl)ace...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2cccc(C#N)c12
Show InChI InChI=1S/C30H23ClF2N4O3/c1-17(38)22-15-36(25-11-4-6-18(13-34)28(22)25)16-27(39)37-14-19(32)12-26(37)30(40)35-24-10-5-8-21(29(24)33)20-7-2-3-9-23(20)31/h2-11,15,19,26H,12,14,16H2,1H3,(H,35,40)/t19-,26+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340296
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)c2ccsc12
Show InChI InChI=1S/C18H16BrFN6O3S/c19-12-2-1-3-13(22-12)23-18(29)11-6-9(20)7-25(11)14(27)8-26-10-4-5-30-16(10)15(24-26)17(21)28/h1-5,9,11H,6-8H2,(H2,21,28)(H,22,23,29)/t9-,11+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340300
PNG
((2S,4R)-1-(2-(3-acetyl- 7-(6-chloropyridin-3- yl)-...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2c(cccc12)-c1ccc(Cl)nc1
Show InChI InChI=1S/C34H26Cl2F2N4O3/c1-19(43)26-17-41(33-22(7-4-9-25(26)33)20-12-13-30(36)39-15-20)18-31(44)42-16-21(37)14-29(42)34(45)40-28-11-5-8-24(32(28)38)23-6-2-3-10-27(23)35/h2-13,15,17,21,29H,14,16,18H2,1H3,(H,40,45)/t21-,29+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340310
PNG
(US9758537, Compound 123 | tert-butyl 1-(3-acetyl-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C1(CC1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H33BrFN5O5/c1-17(38)21-15-36(22-9-8-18(12-20(21)22)30(10-11-30)35-28(41)42-29(2,3)4)16-26(39)37-14-19(32)13-23(37)27(40)34-25-7-5-6-24(31)33-25/h5-9,12,15,19,23H,10-11,13-14,16H2,1-4H3,(H,35,41)(H,33,34,40)/t19-,23+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340215
PNG
((2S,3R)-1-(2-(3-acetyl- 1H-indol-1-yl)acetyl)- N-(...)
Show SMILES CC(=O)c1cn(CC(=O)N2CC[C@@H](OCC3CC3)[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C28H29ClFN3O4/c1-17(34)21-14-32(23-8-3-2-6-20(21)23)15-25(35)33-12-11-24(37-16-18-9-10-18)27(33)28(36)31-13-19-5-4-7-22(29)26(19)30/h2-8,14,18,24,27H,9-13,15-16H2,1H3,(H,31,36)/t24-,27+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340218
PNG
((2S,3S,4S)-1-(2-(3- acetyl-6-hydroxy-1H- indol-1-y...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)[C@@H](OCC3CC3)[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(O)ccc12
Show InChI InChI=1S/C28H28ClF2N3O5/c1-15(35)20-11-33(23-9-18(36)7-8-19(20)23)13-24(37)34-12-22(30)27(39-14-16-5-6-16)26(34)28(38)32-10-17-3-2-4-21(29)25(17)31/h2-4,7-9,11,16,22,26-27,36H,5-6,10,12-14H2,1H3,(H,32,38)/t22-,26-,27+/m0/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340243
PNG
((2S,4R)-N-(3-chloro-2- fluorobenzyl)-4-fluoro- 1-(...)
Show SMILES [O-][N+](=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C22H19ClF2N4O4/c23-16-6-3-4-13(21(16)25)9-26-22(31)18-8-14(24)10-28(18)20(30)12-27-11-19(29(32)33)15-5-1-2-7-17(15)27/h1-7,11,14,18H,8-10,12H2,(H,26,31)/t14-,18+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340272
PNG
((2S,4R)-1-(2-(3-(1H- imidazol-5-yl)-1H- pyrazolo[3...)
Show SMILES F[C@@H]1C[C@H](N(C1)C(=O)Cn1nc(-c2cnc[nH]2)c2ccncc12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C23H20ClF2N7O2/c24-16-3-1-2-13(21(16)26)7-29-23(35)18-6-14(25)10-32(18)20(34)11-33-19-9-27-5-4-15(19)22(31-33)17-8-28-12-30-17/h1-5,8-9,12,14,18H,6-7,10-11H2,(H,28,30)(H,29,35)/t14-,18+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340279
PNG
((2S,4R)-1-(2-(3-acetyl- 1H-indol-1-yl)acetyl)- N-(...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2cc(F)c(F)cc2Cl)c2ccccc12
Show InChI InChI=1S/C29H22ClF4N3O3/c1-15(38)20-13-36(25-8-3-2-5-17(20)25)14-27(39)37-12-16(31)9-26(37)29(40)35-24-7-4-6-18(28(24)34)19-10-22(32)23(33)11-21(19)30/h2-8,10-11,13,16,26H,9,12,14H2,1H3,(H,35,40)/t16-,26+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340281
PNG
((2S,4R)-1-(2-(6-acetyl- 6H-thieno[2,3-b]pyrrol- 4-...)
Show SMILES CC(=O)n1cc(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccsc12
Show InChI InChI=1S/C27H22ClF2N3O3S/c1-15(34)32-13-16(18-9-10-37-27(18)32)11-24(35)33-14-17(29)12-23(33)26(36)31-22-8-4-6-20(25(22)30)19-5-2-3-7-21(19)28/h2-10,13,17,23H,11-12,14H2,1H3,(H,31,36)/t17-,23+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340293
PNG
(4-(2-((2S,4R)-2-(2'- chloro-2- fluorobiphenyl-3- y...)
Show SMILES NC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccsc12
Show InChI InChI=1S/C26H21ClF2N4O3S/c27-18-6-2-1-4-15(18)16-5-3-7-19(23(16)29)31-26(36)21-10-14(28)11-33(21)22(34)13-32-12-17(25(30)35)24-20(32)8-9-37-24/h1-9,12,14,21H,10-11,13H2,(H2,30,35)(H,31,36)/t14-,21+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340299
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)c2c(cccc12)C#N
Show InChI InChI=1S/C28H21ClF2N6O3/c29-20-9-2-1-6-17(20)18-7-4-10-21(24(18)31)34-28(40)22-11-16(30)13-36(22)23(38)14-37-26-15(12-32)5-3-8-19(26)25(35-37)27(33)39/h1-10,16,22H,11,13-14H2,(H2,33,39)(H,34,40)/t16-,22+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340302
PNG
((2S,4R)-1-(2-(3-acetyl- 7-(1H-pyrazol-4-yl)- 1H-in...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2c(cccc12)-c1cn[nH]c1
Show InChI InChI=1S/C32H26ClF2N5O3/c1-18(41)25-16-39(31-21(7-4-9-24(25)31)19-13-36-37-14-19)17-29(42)40-15-20(34)12-28(40)32(43)38-27-11-5-8-23(30(27)35)22-6-2-3-10-26(22)33/h2-11,13-14,16,20,28H,12,15,17H2,1H3,(H,36,37)(H,38,43)/t20-,28+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340303
PNG
((2S,4R)-1-(2-(3-acetyl- 7-cyclopropyl-1H- indol-1-...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2c(cccc12)C1CC1
Show InChI InChI=1S/C32H28ClF2N3O3/c1-18(39)25-16-37(31-21(19-12-13-19)7-4-9-24(25)31)17-29(40)38-15-20(34)14-28(38)32(41)36-27-11-5-8-23(30(27)35)22-6-2-3-10-26(22)33/h2-11,16,19-20,28H,12-15,17H2,1H3,(H,36,41)/t20-,28+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340240
PNG
((2S,4R)-1-(2-(3-acetyl- 1H-indol-1-yl)acetyl)- N-(...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2Cc3ccccc3C2)c2ccccc12
Show InChI InChI=1S/C26H26FN3O3/c1-16(31)22-14-29(23-9-5-4-8-21(22)23)15-25(32)30-13-19(27)12-24(30)26(33)28-20-10-17-6-2-3-7-18(17)11-20/h2-9,14,19-20,24H,10-13,15H2,1H3,(H,28,33)/t19-,24+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340278
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(1-(1,3- dioxoisoindolin...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C1(CC1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C33H27BrFN5O5/c1-18(41)24-16-38(17-29(42)39-15-20(35)14-26(39)30(43)37-28-8-4-7-27(34)36-28)25-10-9-19(13-23(24)25)33(11-12-33)40-31(44)21-5-2-3-6-22(21)32(40)45/h2-10,13,16,20,26H,11-12,14-15,17H2,1H3,(H,36,37,43)/t20-,26+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340280
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2,4',5'- trifluorobiph...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2cc(F)c(F)cc2Cl)c2cnccc12
Show InChI InChI=1S/C26H19ClF4N6O3/c27-16-8-18(30)17(29)7-15(16)13-2-1-3-19(23(13)31)34-26(40)20-6-12(28)10-36(20)22(38)11-37-21-9-33-5-4-14(21)24(35-37)25(32)39/h1-5,7-9,12,20H,6,10-11H2,(H2,32,39)(H,34,40)/t12-,20+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340297
PNG
(1-(2-((1R,3S,5R)-3-(3- chloro-2- fluorobenzylcarba...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccsc12
Show InChI InChI=1S/C21H19ClFN5O3S/c22-12-3-1-2-10(17(12)23)8-25-21(31)15-7-11-6-14(11)28(15)16(29)9-27-13-4-5-32-19(13)18(26-27)20(24)30/h1-5,11,14-15H,6-9H2,(H2,24,30)(H,25,31)/t11-,14-,15+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340305
PNG
(1-(2-((2S,4R)-2-(6- bromopyridin-2- ylcarbamoyl)-4...)
Show SMILES Cc1cc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(Br)n3)nc(C(N)=O)c2s1
Show InChI InChI=1S/C19H18BrFN6O3S/c1-9-5-11-17(31-9)16(18(22)29)25-27(11)8-15(28)26-7-10(21)6-12(26)19(30)24-14-4-2-3-13(20)23-14/h2-5,10,12H,6-8H2,1H3,(H2,22,29)(H,23,24,30)/t10-,12+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340245
PNG
((2S,4R)-1-(2-(3-acetyl- 6-hydroxy-1H-indol-1- yl)a...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(SC(F)(F)F)c2)c2cc(O)ccc12
Show InChI InChI=1S/C24H21F4N3O4S/c1-13(32)19-11-30(20-9-16(33)5-6-18(19)20)12-22(34)31-10-14(25)7-21(31)23(35)29-15-3-2-4-17(8-15)36-24(26,27)28/h2-6,8-9,11,14,21,33H,7,10,12H2,1H3,(H,29,35)/t14-,21+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340276
PNG
((2S,4R)-1-(2-(3-acetyl- 7-cyano-1H-indol-1- yl)ace...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2c(cccc12)C#N
Show InChI InChI=1S/C30H23ClF2N4O3/c1-17(38)23-15-36(29-18(13-34)6-4-9-22(23)29)16-27(39)37-14-19(32)12-26(37)30(40)35-25-11-5-8-21(28(25)33)20-7-2-3-10-24(20)31/h2-11,15,19,26H,12,14,16H2,1H3,(H,35,40)/t19-,26+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340289
PNG
(6-(2-((2S,4R)-2-(2'- chloro-2- fluorobiphenyl-3- y...)
Show SMILES NC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2sccc12
Show InChI InChI=1S/C26H21ClF2N4O3S/c27-19-6-2-1-4-15(19)16-5-3-7-20(23(16)29)31-25(36)21-10-14(28)11-33(21)22(34)13-32-12-18(24(30)35)17-8-9-37-26(17)32/h1-9,12,14,21H,10-11,13H2,(H2,30,35)(H,31,36)/t14-,21+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340290
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)c2ccsc12
Show InChI InChI=1S/C25H20ClF2N5O3S/c26-16-6-2-1-4-14(16)15-5-3-7-17(21(15)28)30-25(36)19-10-13(27)11-32(19)20(34)12-33-18-8-9-37-23(18)22(31-33)24(29)35/h1-9,13,19H,10-12H2,(H2,29,35)(H,30,36)/t13-,19+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340291
PNG
(1-(2-((2S,4R)-2-(6-(2- chloro-4,6- difluorophenyl)...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(n2)-c2c(F)cc(F)cc2Cl)c2cnccc12
Show InChI InChI=1S/C25H19ClF3N7O3/c26-15-6-12(27)7-16(29)22(15)17-2-1-3-20(32-17)33-25(39)18-8-13(28)10-35(18)21(37)11-36-19-9-31-5-4-14(19)23(34-36)24(30)38/h1-7,9,13,18H,8,10-11H2,(H2,30,38)(H,32,33,39)/t13-,18+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340301
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2- fluorobiphenyl-3- y...)
Show SMILES Cc1cc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)nc(C(N)=O)c2s1
Show InChI InChI=1S/C26H22ClF2N5O3S/c1-13-9-19-24(38-13)23(25(30)36)32-34(19)12-21(35)33-11-14(28)10-20(33)26(37)31-18-8-4-6-16(22(18)29)15-5-2-3-7-17(15)27/h2-9,14,20H,10-12H2,1H3,(H2,30,36)(H,31,37)/t14-,20+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340232
PNG
((2S,3aS,7aS)-1-(2-(3- acetyl-6-hydroxy-1H- indol-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(O)ccc12
Show InChI InChI=1S/C28H29ClFN3O4/c1-16(34)21-14-32(24-12-19(35)9-10-20(21)24)15-26(36)33-23-8-3-2-5-17(23)11-25(33)28(37)31-13-18-6-4-7-22(29)27(18)30/h4,6-7,9-10,12,14,17,23,25,35H,2-3,5,8,11,13,15H2,1H3,(H,31,37)/t17-,23-,25-/m0/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340249
PNG
((2S,4R)-N-(3-chloro-2- fluorobenzyl)-4-fluoro- 1-(...)
Show SMILES F[C@@H]1C[C@H](N(C1)C(=O)Cn1nc(I)c2ccncc12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C20H17ClF2IN5O2/c21-14-3-1-2-11(18(14)23)7-26-20(31)15-6-12(22)9-28(15)17(30)10-29-16-8-25-5-4-13(16)19(24)27-29/h1-5,8,12,15H,6-7,9-10H2,(H,26,31)/t12-,15+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340284
PNG
((2S,4R)-1-(2-(3-acetyl- 1H-indol-1-yl)acetyl)- N-(...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccc(F)c(F)c2Cl)c2ccccc12
Show InChI InChI=1S/C29H22ClF4N3O3/c1-15(38)20-13-36(23-8-3-2-5-17(20)23)14-25(39)37-12-16(31)11-24(37)29(40)35-22-7-4-6-19(27(22)33)18-9-10-21(32)28(34)26(18)30/h2-10,13,16,24H,11-12,14H2,1H3,(H,35,40)/t16-,24+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340286
PNG
((2S,4R)-1-(2-(3-acetyl- 1H-indol-1-yl)acetyl)- N-(...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2cc(F)cc(F)c2Cl)c2ccccc12
Show InChI InChI=1S/C29H22ClF4N3O3/c1-15(38)21-13-36(24-8-3-2-5-18(21)24)14-26(39)37-12-17(32)11-25(37)29(40)35-23-7-4-6-19(28(23)34)20-9-16(31)10-22(33)27(20)30/h2-10,13,17,25H,11-12,14H2,1H3,(H,35,40)/t17-,25+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340292
PNG
(1-(2-((2S,4R)-2-(2'- chloro-4',6'- difluorobipheny...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2)-c2c(F)cc(F)cc2Cl)c2cnccc12
Show InChI InChI=1S/C26H20ClF3N6O3/c27-18-7-14(28)8-19(30)23(18)13-2-1-3-16(6-13)33-26(39)20-9-15(29)11-35(20)22(37)12-36-21-10-32-5-4-17(21)24(34-36)25(31)38/h1-8,10,15,20H,9,11-12H2,(H2,31,38)(H,33,39)/t15-,20+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340311
PNG
((2S,4R)-1-(2-(3-acetyl- 7-((5-fluoropyrimidin- 2-y...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2c(cccc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C35H25ClF3N5O3/c1-20(45)27-18-43(34-21(6-4-9-26(27)34)12-13-31-40-15-23(38)16-41-31)19-32(46)44-17-22(37)14-30(44)35(47)42-29-11-5-8-25(33(29)39)24-7-2-3-10-28(24)36/h2-11,15-16,18,22,30H,14,17,19H2,1H3,(H,42,47)/t22-,30+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171273
PNG
(US9085555, 703 | US9758537, Compound 127)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnccc12
Show InChI InChI=1S/C22H20ClFN6O3/c23-14-3-1-2-11(19(14)24)8-27-22(33)16-7-12-6-15(12)30(16)18(31)10-29-17-9-26-5-4-13(17)20(28-29)21(25)32/h1-5,9,12,15-16H,6-8,10H2,(H2,25,32)(H,27,33)/t12-,15-,16+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340266
PNG
((2S,4R)-N-(3-chloro-2- fluorobenzyl)-4-fluoro- 1-(...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)n(CC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F)c1ccccc21
Show InChI InChI=1S/C26H27ClF2N4O4S/c1-38(36,37)31-10-9-19-18-6-2-3-8-21(18)32(23(19)14-31)15-24(34)33-13-17(28)11-22(33)26(35)30-12-16-5-4-7-20(27)25(16)29/h2-8,17,22H,9-15H2,1H3,(H,30,35)/t17-,22+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340209
PNG
(3-((2S,4R)-2-(5-(6- bromopyridin-2-yl)-1H- imidazo...)
Show SMILES CC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2c2ncc([nH]2)-c2cccc(Br)n2)c2ccccc12
Show InChI InChI=1S/C23H20BrFN6O2/c1-13(32)30-12-18(15-5-2-3-7-19(15)30)29-23(33)31-11-14(25)9-20(31)22-26-10-17(28-22)16-6-4-8-21(24)27-16/h2-8,10,12,14,20H,9,11H2,1H3,(H,26,28)(H,29,33)/t14-,20+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340239
PNG
((2S,4R)-1-(2-(3-acetyl- 1H-indol-1-yl)acetyl)- N-(...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H26FN3O3/c1-16(31)21-14-29(23-9-5-4-8-20(21)23)15-25(32)30-13-18(27)12-24(30)26(33)28-22-11-10-17-6-2-3-7-19(17)22/h2-9,14,18,22,24H,10-13,15H2,1H3,(H,28,33)/t18-,22?,24+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340275
PNG
((2S,4R)-1-(2-(3-(1- amino-2,2,2- trifluoroethyl)-1...)
Show SMILES NC(c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C24H22ClF5N4O2/c25-17-6-3-4-13(21(17)27)9-32-23(36)19-8-14(26)10-34(19)20(35)12-33-11-16(22(31)24(28,29)30)15-5-1-2-7-18(15)33/h1-7,11,14,19,22H,8-10,12,31H2,(H,32,36)/t14-,19+,22?/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340238
PNG
((S)-7-(2-(3-acetyl-6- hydroxy-1H-indol-1- yl)acety...)
Show SMILES CC(=O)c1cn(CC(=O)N2CC3(C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)OCCO3)c2cc(O)ccc12
Show InChI InChI=1S/C26H23F4N3O7/c1-14(34)17-11-32(19-9-15(35)5-6-16(17)19)12-22(36)33-13-25(38-7-8-39-25)10-20(33)24(37)31-18-3-2-4-21(23(18)27)40-26(28,29)30/h2-6,9,11,20,35H,7-8,10,12-13H2,1H3,(H,31,37)/t20-/m0/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340210
PNG
(2-(3-acetyl-1H-indol-1- yl)-1-((2S,4R)-2-(5-(6- br...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2c2ncc([nH]2)-c2cccc(Cl)n2)c2ccccc12
Show InChI InChI=1S/C24H21ClFN5O2/c1-14(32)17-12-30(20-7-3-2-5-16(17)20)13-23(33)31-11-15(26)9-21(31)24-27-10-19(29-24)18-6-4-8-22(25)28-18/h2-8,10,12,15,21H,9,11,13H2,1H3,(H,27,29)/t15-,21+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340207
PNG
(3-((2S,4R)-2-(5-(3- chlorophenyl)-1H- imidazol-2-y...)
Show SMILES NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2c2ncc([nH]2)-c2cccc(Cl)c2)c2ccccc12
Show InChI InChI=1S/C23H20ClFN6O2/c24-14-5-3-4-13(8-14)17-10-27-21(28-17)20-9-15(25)11-31(20)23(33)29-18-12-30(22(26)32)19-7-2-1-6-16(18)19/h1-8,10,12,15,20H,9,11H2,(H2,26,32)(H,27,28)(H,29,33)/t15-,20+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340263
PNG
((2S,3aR,7aR)-1-(2-(3- acetyl-6-hydroxy-1H- indol-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(O)ccc12
Show InChI InChI=1S/C28H29ClFN3O4/c1-16(34)21-14-32(24-12-19(35)9-10-20(21)24)15-26(36)33-23-8-3-2-5-17(23)11-25(33)28(37)31-13-18-6-4-7-22(29)27(18)30/h4,6-7,9-10,12,14,17,23,25,35H,2-3,5,8,11,13,15H2,1H3,(H,31,37)/t17-,23-,25+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340255
PNG
((2S,4R)-1-(2-(4- acetylnaphthalen-1- yl)acetyl)-N-...)
Show SMILES CC(=O)c1ccc(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C26H23ClF2N2O3/c1-15(32)19-10-9-16(20-6-2-3-7-21(19)20)11-24(33)31-14-18(28)12-23(31)26(34)30-13-17-5-4-8-22(27)25(17)29/h2-10,18,23H,11-14H2,1H3,(H,30,34)/t18-,23+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340237
PNG
(2-(3-acetyl-6-hydroxy- 1H-indol-1-yl)-1- ((2S,4R)-...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2c2ncc([nH]2)-c2cccc(Br)n2)c2cc(O)ccc12
Show InChI InChI=1S/C24H21BrFN5O3/c1-13(32)17-11-30(20-8-15(33)5-6-16(17)20)12-23(34)31-10-14(26)7-21(31)24-27-9-19(29-24)18-3-2-4-22(25)28-18/h2-6,8-9,11,14,21,33H,7,10,12H2,1H3,(H,27,29)/t14-,21+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340241
PNG
((2S,4R)-1-(2-(3-acetyl- 1H-indol-1-yl)acetyl)- N-(...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCc3c2cccc3Cl)c2ccccc12
Show InChI InChI=1S/C26H25ClFN3O3/c1-15(32)20-13-30(23-8-3-2-5-19(20)23)14-25(33)31-12-16(28)11-24(31)26(34)29-22-10-9-17-18(22)6-4-7-21(17)27/h2-8,13,16,22,24H,9-12,14H2,1H3,(H,29,34)/t16-,22?,24+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340229
PNG
((2S,4R)-N-(3-chloro-2- fluorobenzyl)-1-(2-(3- (1-(...)
Show SMILES CC(=NC#N)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C25H22ClF2N5O2/c1-15(31-14-29)19-12-32(21-8-3-2-6-18(19)21)13-23(34)33-11-17(27)9-22(33)25(35)30-10-16-5-4-7-20(26)24(16)28/h2-8,12,17,22H,9-11,13H2,1H3,(H,30,35)/t17-,22+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340220
PNG
((1R,2R)-N1-(1- carbamoyl-1H-indol-3- yl)-N2-(3-chl...)
Show SMILES NC(=O)n1cc(NC(=O)[C@@H]2CCC[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C23H22ClFN4O3/c24-17-9-3-5-13(20(17)25)11-27-21(30)14-7-4-8-15(14)22(31)28-18-12-29(23(26)32)19-10-2-1-6-16(18)19/h1-3,5-6,9-10,12,14-15H,4,7-8,11H2,(H2,26,32)(H,27,30)(H,28,31)/t14-,15-/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340211
PNG
(3-((2S,4R)-2-(5-chloro- 1H-benzo[d]imidazol-2- yl)...)
Show SMILES NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2c2nc3cc(Cl)ccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C21H18ClFN6O2/c22-11-5-6-14-15(7-11)26-19(25-14)18-8-12(23)9-29(18)21(31)27-16-10-28(20(24)30)17-4-2-1-3-13(16)17/h1-7,10,12,18H,8-9H2,(H2,24,30)(H,25,26)(H,27,31)/t12-,18+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340287
PNG
((2S,4R)-1-(2-(3-acetyl- 4-methoxy-1H-indol-1- yl)a...)
Show SMILES COc1cccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c12
Show InChI InChI=1S/C30H26ClF2N3O4/c1-17(37)21-15-35(24-11-6-12-26(40-2)28(21)24)16-27(38)36-14-18(32)13-25(36)30(39)34-23-10-5-8-20(29(23)33)19-7-3-4-9-22(19)31/h3-12,15,18,25H,13-14,16H2,1-2H3,(H,34,39)/t18-,25+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340257
PNG
(US9758537, Compound 60 | ethyl hydrogen 1-(2- ((2S...)
Show SMILES CCOP(O)(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnccc12
Show InChI InChI=1S/C22H23ClF2N5O5P/c1-2-35-36(33,34)22-15-6-7-26-10-18(15)30(28-22)12-19(31)29-11-14(24)8-17(29)21(32)27-9-13-4-3-5-16(23)20(13)25/h3-7,10,14,17H,2,8-9,11-12H2,1H3,(H,27,32)(H,33,34)/t14-,17+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340256
PNG
(US9758537, Compound 59 | diethyl 3-((2S,4R)-1-(2- ...)
Show SMILES CCOP(=O)(OCC)c1cc(Cl)cc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2cc(C(C)=O)c3ccccc23)c1
Show InChI InChI=1S/C27H30ClFN3O6P/c1-4-37-39(36,38-5-2)21-11-18(28)10-20(13-21)30-27(35)25-12-19(29)14-32(25)26(34)16-31-15-23(17(3)33)22-8-6-7-9-24(22)31/h6-11,13,15,19,25H,4-5,12,14,16H2,1-3H3,(H,30,35)/t19-,25+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340250
PNG
(US9758537, Compound 53 | diethyl 1-(2-((2S,4R)-2- ...)
Show SMILES CCOP(=O)(OCC)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnccc12
Show InChI InChI=1S/C24H27ClF2N5O5P/c1-3-36-38(35,37-4-2)24-17-8-9-28-12-20(17)32(30-24)14-21(33)31-13-16(26)10-19(31)23(34)29-11-15-6-5-7-18(25)22(15)27/h5-9,12,16,19H,3-4,10-11,13-14H2,1-2H3,(H,29,34)/t16-,19+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340246
PNG
((2S,4R)-N-(3-chloro-2- fluorobenzyl)-1-(2-(1,1- di...)
Show SMILES F[C@@H]1C[C@H](N(C1)C(=O)CC1=Nc2ccccc2S(=O)(=O)N1)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C21H19ClF2N4O4S/c22-14-5-3-4-12(20(14)24)10-25-21(30)16-8-13(23)11-28(16)19(29)9-18-26-15-6-1-2-7-17(15)33(31,32)27-18/h1-7,13,16H,8-11H2,(H,25,30)(H,26,27)/t13-,16+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340199
PNG
((S)-N1-(1-carbamoyl- 1H-indol-3-yl)-N2-(3- chloro-...)
Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H](Cc3ccccc23)C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C26H21ClFN5O3/c27-18-9-5-7-16(23(18)28)13-30-24(34)22-12-15-6-1-3-10-20(15)33(22)26(36)31-19-14-32(25(29)35)21-11-4-2-8-17(19)21/h1-11,14,22H,12-13H2,(H2,29,35)(H,30,34)(H,31,36)/t22-/m0/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340261
PNG
((2S,4R)-1-(2-(3-acetyl- 6-hydroxy-1H-indol-1- yl)a...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)c2cc(O)ccc12
Show InChI InChI=1S/C26H29FN4O7S/c1-3-15-10-26(15,25(36)29-39(37,38)18-5-6-18)28-24(35)22-8-16(27)11-31(22)23(34)13-30-12-20(14(2)32)19-7-4-17(33)9-21(19)30/h3-4,7,9,12,15-16,18,22,33H,1,5-6,8,10-11,13H2,2H3,(H,28,35)(H,29,36)/t15-,16-,22+,26-/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340203
PNG
((2S,4R)-N1-(1- carbamoyl-1H-indol-3- yl)-N2-(3-chl...)
Show SMILES NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)NS(=O)(=O)c2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C21H18ClF2N5O5S/c22-13-5-3-7-17(18(13)24)35(33,34)27-19(30)16-8-11(23)9-29(16)21(32)26-14-10-28(20(25)31)15-6-2-1-4-12(14)15/h1-7,10-11,16H,8-9H2,(H2,25,31)(H,26,32)(H,27,30)/t11-,16+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340206
PNG
((R)-N2-(1-acetyl-1H- indol-3-yl)-N1-(3- chloro-2- ...)
Show SMILES CC(=O)n1cc(NC(=O)[C@H]2CCCN2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C23H22ClFN4O3/c1-14(30)29-13-18(16-7-2-3-9-19(16)29)27-22(31)20-10-5-11-28(20)23(32)26-12-15-6-4-8-17(24)21(15)25/h2-4,6-9,13,20H,5,10-12H2,1H3,(H,26,32)(H,27,31)/t20-/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340267
PNG
(US9758537, Compound 70 | ethyl 3-(9-(2-((2S,4R)- 2...)
Show SMILES CCOC(=O)CC(=O)N1CCc2c(C1)n(CC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F)c1ccccc21
Show InChI InChI=1S/C30H31ClF2N4O5/c1-2-42-28(40)13-26(38)35-11-10-21-20-7-3-4-9-23(20)36(25(21)16-35)17-27(39)37-15-19(32)12-24(37)30(41)34-14-18-6-5-8-22(31)29(18)33/h3-9,19,24H,2,10-17H2,1H3,(H,34,41)/t19-,24+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340204
PNG
((2S,4R)-N1-(1-acetyl- 1H-indol-3-yl)-N2-(3- chloro...)
Show SMILES CC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)NS(=O)(=O)c2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C22H19ClF2N4O5S/c1-12(30)28-11-16(14-5-2-3-7-17(14)28)26-22(32)29-10-13(24)9-18(29)21(31)27-35(33,34)19-8-4-6-15(23)20(19)25/h2-8,11,13,18H,9-10H2,1H3,(H,26,32)(H,27,31)/t13-,18+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340205
PNG
((R)-N2-(1-acetyl-1H- indol-3-yl)-N1-(3- chloro-2-f...)
Show SMILES CC(=O)n1cc(NC(=O)[C@H]2CC(F)(F)CN2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C23H20ClF3N4O3/c1-13(32)30-11-17(15-6-2-3-8-18(15)30)29-21(33)19-9-23(26,27)12-31(19)22(34)28-10-14-5-4-7-16(24)20(14)25/h2-8,11,19H,9-10,12H2,1H3,(H,28,34)(H,29,33)/t19-/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340213
PNG
((R)-N2-(1-acetyl-1H- indol-3-yl)-N1-(2- fluoro-3- ...)
Show SMILES CC(=O)n1cc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccccc12
Show InChI InChI=1S/C23H20F4N4O4/c1-13(32)31-12-16(14-6-2-3-8-17(14)31)28-21(33)18-9-5-11-30(18)22(34)29-15-7-4-10-19(20(15)24)35-23(25,26)27/h2-4,6-8,10,12,18H,5,9,11H2,1H3,(H,28,33)(H,29,34)/t18-/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340226
PNG
((2S,4R)-1-(2-(3-acetyl- 1H-indol-1-yl)acetyl)- N-(...)
Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)Cn3cc(C(C)=O)c4ccccc34)C(=O)NCc3cccc(Cl)c3F)cc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C40H34ClFN4O5/c1-24(47)31-22-45(35-14-7-6-12-29(31)35)23-38(48)46-21-28(18-36(46)40(49)43-20-26-11-8-13-32(41)39(26)42)51-37-19-33(25-9-4-3-5-10-25)44-34-17-27(50-2)15-16-30(34)37/h3-17,19,22,28,36H,18,20-21,23H2,1-2H3,(H,43,49)/t28-,36+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340230
PNG
(2-(3-acetyl-1H-indol-1- yl)-1-((2S,4R)-4-fluoro- 2...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N2Cc3ccccc3C2)c2ccccc12
Show InChI InChI=1S/C25H24FN3O3/c1-16(30)21-14-27(22-9-5-4-8-20(21)22)15-24(31)29-13-19(26)10-23(29)25(32)28-11-17-6-2-3-7-18(17)12-28/h2-9,14,19,23H,10-13,15H2,1H3/t19-,23+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340247
PNG
((2S,4R)-N-(3-chloro-2- fluorobenzyl)-4-fluoro- 1-(...)
Show SMILES F[C@@H]1C[C@H](N(C1)C(=O)c1csc(n1)-c1cccnc1)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C21H17ClF2N4O2S/c22-15-5-1-3-12(18(15)24)9-26-19(29)17-7-14(23)10-28(17)21(30)16-11-31-20(27-16)13-4-2-6-25-8-13/h1-6,8,11,14,17H,7,9-10H2,(H,26,29)/t14-,17+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340269
PNG
(4-(9-(2-((2S,4R)-2-(3- chloro-2- fluorobenzylcarba...)
Show SMILES OC(=O)CCC(=O)N1CCc2c(C1)n(CC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F)c1ccccc21
Show InChI InChI=1S/C29H29ClF2N4O5/c30-21-6-3-4-17(28(21)32)13-33-29(41)23-12-18(31)14-36(23)26(38)16-35-22-7-2-1-5-19(22)20-10-11-34(15-24(20)35)25(37)8-9-27(39)40/h1-7,18,23H,8-16H2,(H,33,41)(H,39,40)/t18-,23+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340223
PNG
((1R,2R)-N1-(1- carbamoylindolin-3-yl)- N2-(3-chlor...)
Show SMILES NC(=O)N1CC(NC(=O)[C@@H]2CCC[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C23H24ClFN4O3/c24-17-9-3-5-13(20(17)25)11-27-21(30)14-7-4-8-15(14)22(31)28-18-12-29(23(26)32)19-10-2-1-6-16(18)19/h1-3,5-6,9-10,14-15,18H,4,7-8,11-12H2,(H2,26,32)(H,27,30)(H,28,31)/t14-,15-,18?/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340227
PNG
((2S,4R)-2-((4-(3- chloro-4-fluorophenyl)- 1H-1,2,3...)
Show SMILES NC(=O)N1C[C@H](F)C[C@H]1Cn1cc(nn1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C14H14ClF2N5O/c15-11-3-8(1-2-12(11)17)13-7-21(20-19-13)6-10-4-9(16)5-22(10)14(18)23/h1-3,7,9-10H,4-6H2,(H2,18,23)/t9-,10+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340231
PNG
((2S,4R)-1-(2-(3-acetyl- 1H-indol-1-yl)acetyl)- N-(...)
Show SMILES CN(Cc1cccc(Cl)c1F)C(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1cc(C(C)=O)c2ccccc12
Show InChI InChI=1S/C25H24ClF2N3O3/c1-15(32)19-13-30(21-9-4-3-7-18(19)21)14-23(33)31-12-17(27)10-22(31)25(34)29(2)11-16-6-5-8-20(26)24(16)28/h3-9,13,17,22H,10-12,14H2,1-2H3/t17-,22+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340235
PNG
(US9758537, Compound 38 | tert-butyl (S)-1- ((2S,4R...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C28H31ClF2N4O4/c1-28(2,3)39-27(38)34-22(11-17-14-32-21-10-5-4-8-19(17)21)26(37)35-15-18(30)12-23(35)25(36)33-13-16-7-6-9-20(29)24(16)31/h4-10,14,18,22-23,32H,11-13,15H2,1-3H3,(H,33,36)(H,34,38)/t18-,22+,23+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340265
PNG
((2S,4R)-N-(3-chloro-2- fluorobenzyl)-1-(2-(3,4- di...)
Show SMILES F[C@@H]1C[C@H](N(C1)C(=O)Cn1c2CNCCc2c2ccccc12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C25H25ClF2N4O2/c26-19-6-3-4-15(24(19)28)11-30-25(34)21-10-16(27)13-32(21)23(33)14-31-20-7-2-1-5-17(20)18-8-9-29-12-22(18)31/h1-7,16,21,29H,8-14H2,(H,30,34)/t16-,21+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340202
PNG
((2S,4S)-N2-(1-acetyl- 1H-indol-3-yl)-N1- benzyl-4-...)
Show SMILES CC(=O)n1cc(NC(=O)[C@@H]2C[C@H](F)CN2C(=O)NCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H23FN4O3/c1-15(29)27-14-19(18-9-5-6-10-20(18)27)26-22(30)21-11-17(24)13-28(21)23(31)25-12-16-7-3-2-4-8-16/h2-10,14,17,21H,11-13H2,1H3,(H,25,31)(H,26,30)/t17-,21-/m0/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340308
PNG
(1-(2-((2S,4R)-2-(5-(2- chlorophenyl)-1H- benzo[d]i...)
Show SMILES NC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2c2nc3cc(ccc3[nH]2)-c2ccccc2Cl)c2ccccc12
Show InChI InChI=1S/C28H23ClFN5O2/c29-21-7-3-1-5-18(21)16-9-10-22-23(11-16)33-28(32-22)25-12-17(30)13-35(25)26(36)15-34-14-20(27(31)37)19-6-2-4-8-24(19)34/h1-11,14,17,25H,12-13,15H2,(H2,31,37)(H,32,33)/t17-,25+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340282
PNG
((2S,4R)-1-(2-(4- acetamido-3-acetyl-1H- indol-1-yl...)
Show SMILES CC(=O)Nc1cccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c12
Show InChI InChI=1S/C31H27ClF2N4O4/c1-17(39)22-15-37(26-12-6-10-24(29(22)26)35-18(2)40)16-28(41)38-14-19(33)13-27(38)31(42)36-25-11-5-8-21(30(25)34)20-7-3-4-9-23(20)32/h3-12,15,19,27H,13-14,16H2,1-2H3,(H,35,40)(H,36,42)/t19-,27+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340268
PNG
((2S,4R)-1-(2-(1-acetyl- 1H-indol-3-yl)-2- oxoacety...)
Show SMILES CC(=O)n1cc(C(=O)C(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C24H20ClF2N3O4/c1-13(31)29-12-17(16-6-2-3-8-19(16)29)22(32)24(34)30-11-15(26)9-20(30)23(33)28-10-14-5-4-7-18(25)21(14)27/h2-8,12,15,20H,9-11H2,1H3,(H,28,33)/t15-,20+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340264
PNG
(US9758537, Compound 67 | tert-butyl 9-(2-((2S,4R)-...)
Show SMILES CC(C)(C)OC(=O)N1CCc2c(C1)n(CC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F)c1ccccc21
Show InChI InChI=1S/C30H33ClF2N4O4/c1-30(2,3)41-29(40)35-12-11-21-20-8-4-5-10-23(20)36(25(21)16-35)17-26(38)37-15-19(32)13-24(37)28(39)34-14-18-7-6-9-22(31)27(18)33/h4-10,19,24H,11-17H2,1-3H3,(H,34,39)/t19-,24+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340253
PNG
((2S,4R)-1-(2-(3-acetyl- 1H-indol-1-yl)-2- methylpr...)
Show SMILES CC(=O)c1cn(c2ccccc12)C(C)(C)C(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C26H26ClF2N3O3/c1-15(33)19-14-32(21-10-5-4-8-18(19)21)26(2,3)25(35)31-13-17(28)11-22(31)24(34)30-12-16-7-6-9-20(27)23(16)29/h4-10,14,17,22H,11-13H2,1-3H3,(H,30,34)/t17-,22+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340208
PNG
(2-(3-acetyl-1H-indol-1- yl)-1-((2S,4R)-2-(5-(3- ch...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2c2ncc([nH]2)-c2cccc(Cl)c2)c2ccccc12
Show InChI InChI=1S/C25H22ClFN4O2/c1-15(32)20-13-30(22-8-3-2-7-19(20)22)14-24(33)31-12-18(27)10-23(31)25-28-11-21(29-25)16-5-4-6-17(26)9-16/h2-9,11,13,18,23H,10,12,14H2,1H3,(H,28,29)/t18-,23+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340254
PNG
(1-(2-((2S,4R)-2-(3- chloro-2- fluorobenzylcarbamoy...)
Show SMILES OP(O)(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnccc12
Show InChI InChI=1S/C20H19ClF2N5O5P/c21-14-3-1-2-11(18(14)23)7-25-19(30)15-6-12(22)9-27(15)17(29)10-28-16-8-24-5-4-13(16)20(26-28)34(31,32)33/h1-5,8,12,15H,6-7,9-10H2,(H,25,30)(H2,31,32,33)/t12-,15+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340200
PNG
((2S,4R)-N2-(1-acetyl- 1H-indol-3-yl)-N1-(3- chloro...)
Show SMILES CC(=O)n1cc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C23H21ClF2N4O3/c1-13(31)29-12-18(16-6-2-3-8-19(16)29)28-22(32)20-9-15(25)11-30(20)23(33)27-10-14-5-4-7-17(24)21(14)26/h2-8,12,15,20H,9-11H2,1H3,(H,27,33)(H,28,32)/t15-,20+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340236
PNG
((2S,4R)-1-((S)-2- amino-3-(1H-indol-3- yl)propanoy...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C23H23ClF2N4O2/c24-17-6-3-4-13(21(17)26)10-29-22(31)20-9-15(25)12-30(20)23(32)18(27)8-14-11-28-19-7-2-1-5-16(14)19/h1-7,11,15,18,20,28H,8-10,12,27H2,(H,29,31)/t15-,18+,20+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340225
PNG
(3-((2S,4R)-4-fluoro-2- ((4-(4-fluorophenyl)- 1H-1,...)
Show SMILES NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2Cn2cc(nn2)-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C23H21F2N7O2/c24-15-7-5-14(6-8-15)19-12-30(29-28-19)11-17-9-16(25)10-31(17)23(34)27-20-13-32(22(26)33)21-4-2-1-3-18(20)21/h1-8,12-13,16-17H,9-11H2,(H2,26,33)(H,27,34)/t16-,17+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340216
PNG
((2S,4R)-N1-(1-acetyl- 1H-indol-3-yl)-N2-(3- chloro...)
Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)Nc3cn(C(C)=O)c4ccccc34)C(=O)NCc3cccc(Cl)c3F)cc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C39H33ClFN5O5/c1-23(47)45-22-33(28-12-6-7-14-34(28)45)44-39(49)46-21-27(18-35(46)38(48)42-20-25-11-8-13-30(40)37(25)41)51-36-19-31(24-9-4-3-5-10-24)43-32-17-26(50-2)15-16-29(32)36/h3-17,19,22,27,35H,18,20-21H2,1-2H3,(H,42,48)(H,44,49)/t27-,35+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340201
PNG
((2S,4S)-N2-(1-acetyl- 1H-indol-3-yl)-N1-(3- chloro...)
Show SMILES CC(=O)n1cc(NC(=O)[C@@H]2C[C@H](F)CN2C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C23H21ClF2N4O3/c1-13(31)29-12-18(16-6-2-3-8-19(16)29)28-22(32)20-9-15(25)11-30(20)23(33)27-10-14-5-4-7-17(24)21(14)26/h2-8,12,15,20H,9-11H2,1H3,(H,27,33)(H,28,32)/t15-,20-/m0/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340262
PNG
((2S,4R)-N-(3-chloro-2- fluorobenzyl)-1-(2-(1,1- di...)
Show SMILES F[C@@H]1C[C@H](N(C1)C(=O)CN1C=NS(=O)(=O)c2ccccc12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C21H19ClF2N4O4S/c22-15-5-3-4-13(20(15)24)9-25-21(30)17-8-14(23)10-28(17)19(29)11-27-12-26-33(31,32)18-7-2-1-6-16(18)27/h1-7,12,14,17H,8-11H2,(H,25,30)/t14-,17+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340252
PNG
((2S,4R)-1-(2-(3-acetyl- 1H-indol-1- yl)propanoyl)-...)
Show SMILES CC(C(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F)n1cc(C(C)=O)c2ccccc12
Show InChI InChI=1S/C25H24ClF2N3O3/c1-14(30-13-19(15(2)32)18-7-3-4-9-21(18)30)25(34)31-12-17(27)10-22(31)24(33)29-11-16-6-5-8-20(26)23(16)28/h3-9,13-14,17,22H,10-12H2,1-2H3,(H,29,33)/t14?,17-,22+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340224
PNG
(2-(3-acetyl-1H- indol-1- yl)-1-((2S,4R)-4-fluoro- ...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2Cn2cc(nn2)-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C25H23F2N5O2/c1-16(33)22-13-30(24-5-3-2-4-21(22)24)15-25(34)32-11-19(27)10-20(32)12-31-14-23(28-29-31)17-6-8-18(26)9-7-17/h2-9,13-14,19-20H,10-12,15H2,1H3/t19-,20+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340212
PNG
(2-(3-acetyl-1H-indol-1- yl)-1-((2S,4R)-2-(5- chlor...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2c2nc3cc(Cl)ccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C23H20ClFN4O2/c1-13(30)17-11-28(20-5-3-2-4-16(17)20)12-22(31)29-10-15(25)9-21(29)23-26-18-7-6-14(24)8-19(18)27-23/h2-8,11,15,21H,9-10,12H2,1H3,(H,26,27)/t15-,21+/m1/s1
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340298
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2- fluorobiphenyl-3- y...)
Show SMILES COc1ncc(cn1)-c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)nc1C(N)=O
Show InChI InChI=1S/C28H24ClF2N7O4/c1-42-28-33-10-15(11-34-28)19-13-37(36-25(19)26(32)40)14-23(39)38-12-16(30)9-22(38)27(41)35-21-8-4-6-18(24(21)31)17-5-2-3-7-20(17)29/h2-8,10-11,13,16,22H,9,12,14H2,1H3,(H2,32,40)(H,35,41)/t16-,22+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340248
PNG
((2S,4R)-1-(6- acetamidonicotinoyl)- N-(3-chloro-2-...)
Show SMILES CC(=O)Nc1ccc(cn1)C(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C20H19ClF2N4O3/c1-11(28)26-17-6-5-13(9-24-17)20(30)27-10-14(22)7-16(27)19(29)25-8-12-3-2-4-15(21)18(12)23/h2-6,9,14,16H,7-8,10H2,1H3,(H,25,29)(H,24,26,28)/t14-,16+/m1/s1
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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340228
PNG
(N1-(1-carbamoyl-1H- indol-3-yl)-N2-(3- chloro-2- f...)
Show SMILES NC(=O)n1cc(NC(=O)C2=C(CCC2)C(=O)NCc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C23H20ClFN4O3/c24-17-9-3-5-13(20(17)25)11-27-21(30)14-7-4-8-15(14)22(31)28-18-12-29(23(26)32)19-10-2-1-6-16(18)19/h1-3,5-6,9-10,12H,4,7-8,11H2,(H2,26,32)(H,27,30)(H,28,31)
PDB

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Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340217
PNG
(1,3-bis(1-acetyl-1H- indol-3-yl)urea | US9758537, ...)
Show SMILES CC(=O)n1cc(NC(=O)Nc2cn(C(C)=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C21H18N4O3/c1-13(26)24-11-17(15-7-3-5-9-19(15)24)22-21(28)23-18-12-25(14(2)27)20-10-6-4-8-16(18)20/h3-12H,1-2H3,(H2,22,23,28)
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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM340214
PNG
((R)-N-(1-acetyl-1H- indol-3-yl)-1-(2-(3- chloro-2-...)
Show SMILES CC(=O)n1cc(NC(=O)[C@H]2CC(F)(F)CN2C(=O)Cc2cccc(Cl)c2F)c2ccccc12
Show InChI InChI=1S/C23H19ClF3N3O3/c1-13(31)29-11-17(15-6-2-3-8-18(15)29)28-22(33)19-10-23(26,27)12-30(19)20(32)9-14-5-4-7-16(24)21(14)25/h2-8,11,19H,9-10,12H2,1H3,(H,28,33)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%