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Patent code US9732103

Compile Data Set for Download or QSAR
Found 16 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
Factor D


(Homo sapiens (Human))
BDBM335494
PNG
(4-(((3-acetyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluor...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OC(=O)NCc3ccc(cc3)B(O)O)ccc12
Show InChI InChI=1S/C32H30BClF2N4O7/c1-18(41)25-16-39(17-29(42)40-15-22(35)11-28(40)31(43)37-14-20-3-2-4-26(34)30(20)36)27-12-23(9-10-24(25)27)47-32(44)38-13-19-5-7-21(8-6-19)33(45)46/h2-10,12,16,22,28,45-46H,11,13-15,17H2,1H3,(H,37,43)(H,38,44)/t22-,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 US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335504
PNG
(3-acctyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluorobenz...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OC(=O)NCc3ncccn3)cc12
Show InChI InChI=1S/C30H27ClF2N6O5/c1-17(40)22-15-38(24-7-6-20(11-21(22)24)44-30(43)37-13-26-34-8-3-9-35-26)16-27(41)39-14-19(32)10-25(39)29(42)36-12-18-4-2-5-23(31)28(18)33/h2-9,11,15,19,25H,10,12-14,16H2,1H3,(H,36,42)(H,37,43)/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 US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335502
PNG
(3-acetyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluorobenz...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OC(=O)N3CCOCC3)cc12
Show InChI InChI=1S/C29H29ClF2N4O6/c1-17(37)22-15-35(24-6-5-20(12-21(22)24)42-29(40)34-7-9-41-10-8-34)16-26(38)36-14-19(31)11-25(36)28(39)33-13-18-3-2-4-23(30)27(18)32/h2-6,12,15,19,25H,7-11,13-14,16H2,1H3,(H,33,39)/t19-,25+/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 US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335505
PNG
(3-acctyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluorobenz...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OC(=O)NCCc3nn[nH]n3)cc12
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 US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335506
PNG
(3-acctyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluorobenz...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OC(=O)NCCc3c[nH]cn3)cc12
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 US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335499
PNG
(3-acetyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluorobenz...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OC(=O)NCc3nnn[nH]3)cc12
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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 US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335507
PNG
(3-acetyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluorobenz...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OC(=O)N3CCNCC3)cc12
Show InChI InChI=1S/C29H30ClF2N5O5/c1-17(38)22-15-36(24-6-5-20(12-21(22)24)42-29(41)35-9-7-33-8-10-35)16-26(39)37-14-19(31)11-25(37)28(40)34-13-18-3-2-4-23(30)27(18)32/h2-6,12,15,19,25,33H,7-11,13-14,16H2,1H3,(H,34,40)/t19-,25+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


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


US Patent US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335496
PNG
(3-acetyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluorobenz...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OC(=O)NC3CC3)cc12
Show InChI InChI=1S/C28H27ClF2N4O5/c1-15(36)21-13-34(23-8-7-19(10-20(21)23)40-28(39)33-18-5-6-18)14-25(37)35-12-17(30)9-24(35)27(38)32-11-16-3-2-4-22(29)26(16)31/h2-4,7-8,10,13,17-18,24H,5-6,9,11-12,14H2,1H3,(H,32,38)(H,33,39)/t17-,24+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


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


US Patent US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335501
PNG
((2S,4R)-1-(2-(3- acetyl-6-(2- (methylsulfinyl)acet...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C(=O)CS(C)=O
Show InChI InChI=1S/C27H26ClF2N3O5S/c1-15(34)20-12-32(22-8-16(6-7-19(20)22)24(35)14-39(2)38)13-25(36)33-11-18(29)9-23(33)27(37)31-10-17-4-3-5-21(28)26(17)30/h3-8,12,18,23H,9-11,13-14H2,1-2H3,(H,31,37)/t18-,23+,39?/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 US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335492
PNG
(2-((3-acctyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluoro...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OC(=O)NCCP(O)(O)=O)ccc12
Show InChI InChI=1S/C27H28ClF2N4O8P/c1-15(35)20-13-33(22-10-18(5-6-19(20)22)42-27(38)31-7-8-43(39,40)41)14-24(36)34-12-17(29)9-23(34)26(37)32-11-16-3-2-4-21(28)25(16)30/h2-6,10,13,17,23H,7-9,11-12,14H2,1H3,(H,31,38)(H,32,37)(H2,39,40,41)/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 US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335481
PNG
(3-acetyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluorobcnz...)
Show SMILES CC(=O)c1cn(CC(=O)Oc2ccc3n(CC(=O)N4C[C@H](F)C[C@H]4C(=O)NCc4cccc(Cl)c4F)cc(C(C)=O)c3c2)c2ccc(O)cc12
Show InChI InChI=1S/C36H31ClF2N4O7/c1-19(44)27-16-42(30-8-6-23(46)11-25(27)30)18-34(48)50-24-7-9-31-26(12-24)28(20(2)45)15-41(31)17-33(47)43-14-22(38)10-32(43)36(49)40-13-21-4-3-5-29(37)35(21)39/h3-9,11-12,15-16,22,32,46H,10,13-14,17-18H2,1-2H3,(H,40,49)/t22-,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 US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335484
PNG
(3-acctyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluorobenz...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OC(=O)NCc3cscn3)cc12
Show InChI InChI=1S/C29H26ClF2N5O5S/c1-16(38)22-12-36(24-6-5-20(8-21(22)24)42-29(41)34-10-19-14-43-15-35-19)13-26(39)37-11-18(31)7-25(37)28(40)33-9-17-3-2-4-23(30)27(17)32/h2-6,8,12,14-15,18,25H,7,9-11,13H2,1H3,(H,33,40)(H,34,41)/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 US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335485
PNG
(3-acctyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluorobenz...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OC(=O)NCc3cscn3)ccc12
Show InChI InChI=1S/C29H26ClF2N5O5S/c1-16(38)22-12-36(24-8-20(5-6-21(22)24)42-29(41)34-10-19-14-43-15-35-19)13-26(39)37-11-18(31)7-25(37)28(40)33-9-17-3-2-4-23(30)27(17)32/h2-6,8,12,14-15,18,25H,7,9-11,13H2,1H3,(H,33,40)(H,34,41)/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 US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335486
PNG
(3-acetyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluorobenz...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OC(=O)NCc3nn[nH]n3)ccc12
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 US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335489
PNG
(3-acctyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluorobenz...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OC(=O)NCCc3nn[nH]n3)ccc12
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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 US9732103 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335497
PNG
(3-acctyl-1-(2- ((2S,4R)-2-(3- chloro-2- fluorobenz...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OC(=O)NCc3cocn3)cc12
Show InChI InChI=1S/C29H26ClF2N5O6/c1-16(38)22-12-36(24-6-5-20(8-21(22)24)43-29(41)34-10-19-14-42-15-35-19)13-26(39)37-11-18(31)7-25(37)28(40)33-9-17-3-2-4-23(30)27(17)32/h2-6,8,12,14-15,18,25H,7,9-11,13H2,1H3,(H,33,40)(H,34,41)/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 US9732103 (2017)

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