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USPatent US9598446

Compile data set for download or QSAR
Found 65 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))
BDBM303010
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Cl)c2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C26H23ClFN7O3/c1-15(36)22-12-34(23-3-2-18(6-21(22)23)32-20-9-30-14-31-10-20)13-25(37)35-11-17(28)5-24(35)26(38)33-19-4-16(27)7-29-8-19/h2-4,6-10,12,14,17,24,32H,5,11,13H2,1H3,(H,33,38)/t17-,24+/m1/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303024
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2nc(ns2)-c2ccccc2Cl)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C29H24ClFN8O3S/c1-16(40)22-13-38(24-7-6-18(9-21(22)24)34-19-10-32-15-33-11-19)14-26(41)39-12-17(31)8-25(39)28(42)36-29-35-27(37-43-29)20-4-2-3-5-23(20)30/h2-7,9-11,13,15,17,25,34H,8,12,14H2,1H3,(H,35,36,37,42)/t17-,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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303030
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cc3OC(F)(F)Oc3cc2F)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C28H22F4N6O5/c1-14(39)19-11-37(22-3-2-16(5-18(19)22)35-17-8-33-13-34-9-17)12-26(40)38-10-15(29)4-23(38)27(41)36-21-7-25-24(6-20(21)30)42-28(31,32)43-25/h2-3,5-9,11,13,15,23,35H,4,10,12H2,1H3,(H,36,41)/t15-,23+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303039
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ncc(Br)cn2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C25H22BrFN8O3/c1-14(36)20-11-34(21-3-2-17(5-19(20)21)32-18-8-28-13-29-9-18)12-23(37)35-10-16(27)4-22(35)24(38)33-25-30-6-15(26)7-31-25/h2-3,5-9,11,13,16,22,32H,4,10,12H2,1H3,(H,30,31,33,38)/t16-,22+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303051
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc3ncsc3c2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C28H24FN7O3S/c1-16(37)22-12-35(24-5-3-18(7-21(22)24)33-20-9-30-14-31-10-20)13-27(38)36-11-17(29)6-25(36)28(39)34-19-2-4-23-26(8-19)40-15-32-23/h2-5,7-10,12,14-15,17,25,33H,6,11,13H2,1H3,(H,34,39)/t17-,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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303053
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCCN(C2=O)c2ccccc2Cl)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C32H31ClFN7O4/c1-19(42)24-16-39(27-9-8-21(12-23(24)27)37-22-13-35-18-36-14-22)17-30(43)41-15-20(34)11-29(41)31(44)38-26-6-4-10-40(32(26)45)28-7-3-2-5-25(28)33/h2-3,5,7-9,12-14,16,18,20,26,29,37H,4,6,10-11,15,17H2,1H3,(H,38,44)/t20-,26?,29+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303059
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCN(C2=O)c2ccn(C)n2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C29H30FN9O4/c1-17(40)22-14-37(24-4-3-19(10-21(22)24)33-20-11-31-16-32-12-20)15-27(41)39-13-18(30)9-25(39)28(42)34-23-5-8-38(29(23)43)26-6-7-36(2)35-26/h3-4,6-7,10-12,14,16,18,23,25,33H,5,8-9,13,15H2,1-2H3,(H,34,42)/t18-,23?,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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302884
PNG
(1-(2-((2S,4R)-2-(6- chloropyridin-2- ylcarbamoyl)-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(Nc3cccnn3)cc12
Show InChI InChI=1S/C24H21ClFN9O3/c25-18-3-1-4-19(30-18)31-24(38)17-9-13(26)11-34(17)21(36)12-35-16-7-6-14(29-20-5-2-8-28-32-20)10-15(16)22(33-35)23(27)37/h1-8,10,13,17H,9,11-12H2,(H2,27,37)(H,29,32)(H,30,31,38)/t13-,17+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302931
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C28H26ClFN6O3/c1-17(37)24-14-35(25-6-5-21(9-23(24)25)34-22-11-31-16-32-12-22)15-27(38)36-13-20(30)8-26(36)28(39)33-10-18-3-2-4-19(29)7-18/h2-7,9,11-12,14,16,20,26,34H,8,10,13,15H2,1H3,(H,33,39)/t20-,26+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303041
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc3ccccc3c2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C31H27FN6O3/c1-19(39)27-16-37(28-9-8-24(12-26(27)28)35-25-13-33-18-34-14-25)17-30(40)38-15-22(32)11-29(38)31(41)36-23-7-6-20-4-2-3-5-21(20)10-23/h2-10,12-14,16,18,22,29,35H,11,15,17H2,1H3,(H,36,41)/t22-,29+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303058
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCCN(C2=O)c2cc(C)ccc2F)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C33H33F2N7O4/c1-19-5-7-26(35)29(10-19)41-9-3-4-27(33(41)46)39-32(45)30-11-21(34)15-42(30)31(44)17-40-16-25(20(2)43)24-12-22(6-8-28(24)40)38-23-13-36-18-37-14-23/h5-8,10,12-14,16,18,21,27,30,38H,3-4,9,11,15,17H2,1-2H3,(H,39,45)/t21-,27?,30+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303060
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(O)n2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C26H24FN7O4/c1-15(35)20-12-33(21-6-5-17(8-19(20)21)30-18-9-28-14-29-10-18)13-25(37)34-11-16(27)7-22(34)26(38)32-23-3-2-4-24(36)31-23/h2-6,8-10,12,14,16,22,30H,7,11,13H2,1H3,(H2,31,32,36,38)/t16-,22+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302867
PNG
((2S,4R)-1-(2-(3- acetyl-6- (trifluoromethylsulfon-...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(NS(=O)(=O)C(F)(F)F)ccc12
Show InChI InChI=1S/C25H22ClF5N4O5S/c1-13(36)18-11-34(20-8-16(5-6-17(18)20)33-41(39,40)25(29,30)31)12-22(37)35-10-15(27)7-21(35)24(38)32-9-14-3-2-4-19(26)23(14)28/h2-6,8,11,15,21,33H,7,9-10,12H2,1H3,(H,32,38)/t15-,21+/m1/s1
PDB

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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302878
PNG
((2S,4R)-1-(2-(3- acetyl-5-(5- fluoropyridin-3- yla...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(Nc3cncc(F)c3)cc12
Show InChI InChI=1S/C27H23BrF2N6O3/c1-15(37)21-13-35(22-6-5-18(9-20(21)22)32-19-7-16(29)10-31-11-19)14-26(38)36-12-17(30)8-23(36)27(39)34-25-4-2-3-24(28)33-25/h2-7,9-11,13,17,23,32H,8,12,14H2,1H3,(H,33,34,39)/t17-,23+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303011
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CCN1Cc2ccc(NC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Cn3cc(C(C)=O)c4cc(Nc5cncnc5)ccc34)cc2C1=O
Show InChI InChI=1S/C31H30FN7O4/c1-3-37-13-19-4-5-22(9-24(19)31(37)43)36-30(42)28-8-20(32)14-39(28)29(41)16-38-15-26(18(2)40)25-10-21(6-7-27(25)38)35-23-11-33-17-34-12-23/h4-7,9-12,15,17,20,28,35H,3,8,13-14,16H2,1-2H3,(H,36,42)/t20-,28+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303040
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc(OCc3ccccc3)cn2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C33H30FN7O4/c1-21(42)28-17-40(29-9-7-24(12-27(28)29)38-25-13-35-20-36-14-25)18-32(43)41-16-23(34)11-30(41)33(44)39-31-10-8-26(15-37-31)45-19-22-5-3-2-4-6-22/h2-10,12-15,17,20,23,30,38H,11,16,18-19H2,1H3,(H,37,39,44)/t23-,30+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303052
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cc(C)nn2-c2ccccc2F)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C31H28F2N8O3/c1-18-9-29(41(38-18)27-6-4-3-5-25(27)33)37-31(44)28-10-20(32)14-40(28)30(43)16-39-15-24(19(2)42)23-11-21(7-8-26(23)39)36-22-12-34-17-35-13-22/h3-9,11-13,15,17,20,28,36H,10,14,16H2,1-2H3,(H,37,44)/t20-,28+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303054
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2ccncc2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C27H26FN7O3/c1-17(36)23-14-34(24-3-2-20(9-22(23)24)33-21-11-30-16-31-12-21)15-26(37)35-13-19(28)8-25(35)27(38)32-10-18-4-6-29-7-5-18/h2-7,9,11-12,14,16,19,25,33H,8,10,13,15H2,1H3,(H,32,38)/t19-,25+/m1/s1
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UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302881
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@@H](CO)c2cccc(Cl)c2F)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C29H27ClF2N6O4/c1-16(40)22-12-37(25-6-5-18(8-21(22)25)35-19-9-33-15-34-10-19)13-27(41)38-11-17(31)7-26(38)29(42)36-24(14-39)20-3-2-4-23(30)28(20)32/h2-6,8-10,12,15,17,24,26,35,39H,7,11,13-14H2,1H3,(H,36,42)/t17-,24+,26+/m1/s1
PDB

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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302930
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cc(F)cc(Cl)c2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C28H25ClF2N6O3/c1-16(38)24-13-36(25-3-2-21(8-23(24)25)35-22-10-32-15-33-11-22)14-27(39)37-12-20(31)7-26(37)28(40)34-9-17-4-18(29)6-19(30)5-17/h2-6,8,10-11,13,15,20,26,35H,7,9,12,14H2,1H3,(H,34,40)/t20-,26+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303033
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)C2C[C@H](F)C[C@H]2C(=O)Nc2ccc3[nH]c(C)c(C)c3c2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C32H31FN6O3/c1-17-18(2)36-29-6-4-22(10-24(17)29)38-32(42)27-9-20(33)8-26(27)31(41)15-39-14-28(19(3)40)25-11-21(5-7-30(25)39)37-23-12-34-16-35-13-23/h4-7,10-14,16,20,26-27,36-37H,8-9,15H2,1-3H3,(H,38,42)/t20-,26?,27+/m0/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303037
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCCN(C2)c2cnn(C)c2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C30H34FN9O3/c1-19(41)26-16-39(27-6-5-21(9-25(26)27)35-23-10-32-18-33-11-23)17-29(42)40-13-20(31)8-28(40)30(43)36-22-4-3-7-38(14-22)24-12-34-37(2)15-24/h5-6,9-12,15-16,18,20,22,28,35H,3-4,7-8,13-14,17H2,1-2H3,(H,36,43)/t20-,22?,28+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302882
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2- fluorobiphenyl-3- y...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Nc3cccnn3)cc12
Show InChI InChI=1S/C31H25ClF2N8O3/c32-22-7-2-1-5-19(22)20-6-3-8-23(28(20)34)38-31(45)25-13-17(33)15-41(25)27(43)16-42-24-11-10-18(37-26-9-4-12-36-39-26)14-21(24)29(40-42)30(35)44/h1-12,14,17,25H,13,15-16H2,(H2,35,44)(H,37,39)(H,38,45)/t17-,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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302900
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2- fluorobiphenyl-3- y...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Nc3cnc(nc3)C(F)(F)F)cc12
Show InChI InChI=1S/C32H24ClF5N8O3/c33-22-6-2-1-4-19(22)20-5-3-7-23(27(20)35)43-30(49)25-10-16(34)14-45(25)26(47)15-46-24-9-8-17(11-21(24)28(44-46)29(39)48)42-18-12-40-31(41-13-18)32(36,37)38/h1-9,11-13,16,25,42H,10,14-15H2,(H2,39,48)(H,43,49)/t16-,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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303013
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc3cn[nH]c3c2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C28H25FN8O3/c1-16(38)23-13-36(25-5-4-19(7-22(23)25)33-21-10-30-15-31-11-21)14-27(39)37-12-18(29)6-26(37)28(40)34-20-3-2-17-9-32-35-24(17)8-20/h2-5,7-11,13,15,18,26,33H,6,12,14H2,1H3,(H,32,35)(H,34,40)/t18-,26+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303028
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Cl)n2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C25H22ClFN8O3/c1-14(36)19-11-34(20-3-2-16(5-18(19)20)31-17-6-29-13-30-7-17)12-24(37)35-10-15(27)4-21(35)25(38)33-23-9-28-8-22(26)32-23/h2-3,5-9,11,13,15,21,31H,4,10,12H2,1H3,(H,32,33,38)/t15-,21+/m1/s1
PDB

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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303042
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C25H22BrFN8O3/c1-14(36)19-11-34(20-3-2-16(5-18(19)20)31-17-6-29-13-30-7-17)12-24(37)35-10-15(27)4-21(35)25(38)33-23-9-28-8-22(26)32-23/h2-3,5-9,11,13,15,21,31H,4,10,12H2,1H3,(H,32,33,38)/t15-,21+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302879
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C26H23ClFN7O3/c1-15(36)20-12-34(21-6-5-17(8-19(20)21)31-18-9-29-14-30-10-18)13-25(37)35-11-16(28)7-22(35)26(38)33-24-4-2-3-23(27)32-24/h2-6,8-10,12,14,16,22,31H,7,11,13H2,1H3,(H,32,33,38)/t16-,22+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302893
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2- fluorobiphenyl-3- y...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Nc3ncc(cn3)C#N)cc12
Show InChI InChI=1S/C32H24ClF2N9O3/c33-23-6-2-1-4-20(23)21-5-3-7-24(28(21)35)41-31(47)26-10-18(34)15-43(26)27(45)16-44-25-9-8-19(11-22(25)29(42-44)30(37)46)40-32-38-13-17(12-36)14-39-32/h1-9,11,13-14,18,26H,10,15-16H2,(H2,37,46)(H,41,47)(H,38,39,40)/t18-,26+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303038
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccnc2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C27H26FN7O3/c1-17(36)23-14-34(24-5-4-20(8-22(23)24)33-21-11-30-16-31-12-21)15-26(37)35-13-19(28)7-25(35)27(38)32-10-18-3-2-6-29-9-18/h2-6,8-9,11-12,14,16,19,25,33H,7,10,13,15H2,1H3,(H,32,38)/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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302883
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2- fluorobiphenyl-3- y...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C31H25ClF2N8O3/c32-23-6-2-1-4-20(23)21-5-3-7-24(28(21)34)39-31(45)26-10-17(33)14-41(26)27(43)15-42-25-9-8-18(38-19-12-36-16-37-13-19)11-22(25)29(40-42)30(35)44/h1-9,11-13,16-17,26,38H,10,14-15H2,(H2,35,44)(H,39,45)/t17-,26+/m1/s1
PDB

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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302889
PNG
(1-(2-((2S,4R)-2-(6- chloropyridin-2- ylcarbamoyl)-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C24H21ClFN9O3/c25-19-2-1-3-20(31-19)32-24(38)18-6-13(26)10-34(18)21(36)11-35-17-5-4-14(30-15-8-28-12-29-9-15)7-16(17)22(33-35)23(27)37/h1-5,7-9,12-13,18,30H,6,10-11H2,(H2,27,37)(H,31,32,38)/t13-,18+/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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303009
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Br)c2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C26H23BrFN7O3/c1-15(36)22-12-34(23-3-2-18(6-21(22)23)32-20-9-30-14-31-10-20)13-25(37)35-11-17(28)5-24(35)26(38)33-19-4-16(27)7-29-8-19/h2-4,6-10,12,14,17,24,32H,5,11,13H2,1H3,(H,33,38)/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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303012
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc3CC(C)(C)Oc23)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C31H31FN6O4/c1-18(39)24-15-37(26-8-7-21(10-23(24)26)35-22-12-33-17-34-13-22)16-28(40)38-14-20(32)9-27(38)30(41)36-25-6-4-5-19-11-31(2,3)42-29(19)25/h4-8,10,12-13,15,17,20,27,35H,9,11,14,16H2,1-3H3,(H,36,41)/t20-,27+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303026
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccnc2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C26H24FN7O3/c1-16(35)22-13-33(23-5-4-18(8-21(22)23)31-20-10-29-15-30-11-20)14-25(36)34-12-17(27)7-24(34)26(37)32-19-3-2-6-28-9-19/h2-6,8-11,13,15,17,24,31H,7,12,14H2,1H3,(H,32,37)/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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303043
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)C2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)c2C(F)(F)F)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C29H24ClF4N5O3/c1-15(40)22-12-39(25-6-5-17(9-19(22)25)37-18-10-35-14-36-11-18)13-26(41)20-7-16(31)8-21(20)28(42)38-24-4-2-3-23(30)27(24)29(32,33)34/h2-6,9-12,14,16,20-21,37H,7-8,13H2,1H3,(H,38,42)/t16-,20?,21+/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302872
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C33H27ClF2N6O3/c1-19(43)26-16-41(29-10-9-21(12-25(26)29)39-22-13-37-18-38-14-22)17-31(44)42-15-20(35)11-30(42)33(45)40-28-8-4-6-24(32(28)36)23-5-2-3-7-27(23)34/h2-10,12-14,16,18,20,30,39H,11,15,17H2,1H3,(H,40,45)/t20-,30+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302874
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C26H23BrFN7O3/c1-15(36)20-12-34(21-6-5-17(8-19(20)21)31-18-9-29-14-30-10-18)13-25(37)35-11-16(28)7-22(35)26(38)33-24-4-2-3-23(27)32-24/h2-6,8-10,12,14,16,22,31H,7,11,13H2,1H3,(H,32,33,38)/t16-,22+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302880
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@H](CO)c2cccc(Cl)c2F)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C29H27ClF2N6O4/c1-16(40)22-12-37(25-6-5-18(8-21(22)25)35-19-9-33-15-34-10-19)13-27(41)38-11-17(31)7-26(38)29(42)36-24(14-39)20-3-2-4-23(30)28(20)32/h2-6,8-10,12,15,17,24,26,35,39H,7,11,13-14H2,1H3,(H,36,42)/t17-,24-,26+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302928
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2ccccn2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C27H26FN7O3/c1-17(36)23-14-34(24-6-5-19(9-22(23)24)33-21-10-29-16-30-11-21)15-26(37)35-13-18(28)8-25(35)27(38)32-12-20-4-2-3-7-31-20/h2-7,9-11,14,16,18,25,33H,8,12-13,15H2,1H3,(H,32,38)/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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303015
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc(F)c(c2)-c2nnc3CCCCCn23)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C34H33F2N9O3/c1-20(46)27-17-43(29-9-7-22(12-25(27)29)39-24-14-37-19-38-15-24)18-32(47)45-16-21(35)11-30(45)34(48)40-23-6-8-28(36)26(13-23)33-42-41-31-5-3-2-4-10-44(31)33/h6-9,12-15,17,19,21,30,39H,2-5,10-11,16,18H2,1H3,(H,40,48)/t21-,30+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303057
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2noc(n2)-c2ccccc2Cl)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C29H24ClFN8O4/c1-16(40)22-13-38(24-7-6-18(9-21(22)24)34-19-10-32-15-33-11-19)14-26(41)39-12-17(31)8-25(39)27(42)35-29-36-28(43-37-29)20-4-2-3-5-23(20)30/h2-7,9-11,13,15,17,25,34H,8,12,14H2,1H3,(H,35,37,42)/t17-,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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302945
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1cc(C(C)=O)c2cc(Nc3cncnc3)ccc12
Show InChI InChI=1S/C22H23FN6O3/c1-13(30)18-10-28(11-21(31)29-9-14(23)5-20(29)22(32)24-2)19-4-3-15(6-17(18)19)27-16-7-25-12-26-8-16/h3-4,6-8,10,12,14,20,27H,5,9,11H2,1-2H3,(H,24,32)/t14-,20+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302902
PNG
(((3-acetyl-1-(2- ((2S,4R)-2-(2'-chloro- 2-fluorobi...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)N(COC(=O)C(C)(C)C)c1cncnc1
Show InChI InChI=1S/C39H37ClF2N6O5/c1-23(49)30-19-46(33-13-12-25(15-29(30)33)48(26-16-43-21-44-17-26)22-53-38(52)39(2,3)4)20-35(50)47-18-24(41)14-34(47)37(51)45-32-11-7-9-28(36(32)42)27-8-5-6-10-31(27)40/h5-13,15-17,19,21,24,34H,14,18,20,22H2,1-4H3,(H,45,51)/t24-,34+/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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303046
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCc3c2c(F)ccc3F)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C30H27F3N6O3/c1-16(40)22-13-38(26-7-2-18(9-21(22)26)36-19-10-34-15-35-11-19)14-28(41)39-12-17(31)8-27(39)30(42)37-25-6-3-20-23(32)4-5-24(33)29(20)25/h2,4-5,7,9-11,13,15,17,25,27,36H,3,6,8,12,14H2,1H3,(H,37,42)/t17-,25?,27+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303031
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C27H31FN6O4/c1-16(35)21-13-33(23-7-6-18(9-20(21)23)31-19-10-29-15-30-11-19)14-26(37)34-12-17(28)8-24(34)27(38)32-22-4-2-3-5-25(22)36/h6-7,9-11,13,15,17,22,24-25,31,36H,2-5,8,12,14H2,1H3,(H,32,38)/t17-,22+,24+,25+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303025
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccccc2-n2nccc2C)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C31H29FN8O3/c1-19-9-10-35-40(19)28-6-4-3-5-26(28)37-31(43)29-11-21(32)15-39(29)30(42)17-38-16-25(20(2)41)24-12-22(7-8-27(24)38)36-23-13-33-18-34-14-23/h3-10,12-14,16,18,21,29,36H,11,15,17H2,1-2H3,(H,37,43)/t21-,29+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302903
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2nc3ccccc3s2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C29H26FN7O3S/c1-17(38)22-14-36(24-7-6-19(9-21(22)24)34-20-10-31-16-32-11-20)15-28(39)37-13-18(30)8-25(37)29(40)33-12-27-35-23-4-2-3-5-26(23)41-27/h2-7,9-11,14,16,18,25,34H,8,12-13,15H2,1H3,(H,33,40)/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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303050
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2c[nH]nc2-c2ccc(Cl)cc2Cl)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C30H25Cl2FN8O3/c1-16(42)23-13-40(26-5-3-19(8-22(23)26)37-20-9-34-15-35-10-20)14-28(43)41-12-18(33)7-27(41)30(44)38-25-11-36-39-29(25)21-4-2-17(31)6-24(21)32/h2-6,8-11,13,15,18,27,37H,7,12,14H2,1H3,(H,36,39)(H,38,44)/t18-,27+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303049
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES COc1cc(C)cc2C(CCOc12)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1cc(C(C)=O)c2cc(Nc3cncnc3)ccc12
Show InChI InChI=1S/C32H33FN6O5/c1-18-8-24-26(6-7-44-31(24)29(9-18)43-3)37-32(42)28-10-20(33)14-39(28)30(41)16-38-15-25(19(2)40)23-11-21(4-5-27(23)38)36-22-12-34-17-35-13-22/h4-5,8-9,11-13,15,17,20,26,28,36H,6-7,10,14,16H2,1-3H3,(H,37,42)/t20-,26?,28+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303044
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2nc(cs2)-c2c(C)nc3sccn23)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C30H26FN9O3S2/c1-16-27(39-5-6-44-30(39)34-16)23-14-45-29(36-23)37-28(43)25-7-18(31)11-40(25)26(42)13-38-12-22(17(2)41)21-8-19(3-4-24(21)38)35-20-9-32-15-33-10-20/h3-6,8-10,12,14-15,18,25,35H,7,11,13H2,1-2H3,(H,36,37,43)/t18-,25+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM302863
PNG
((2S,4R)-1-(2-(N-(3- acetyl-1-(2-((2S,4R)- 2-(3-chl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)N(CC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F)S(C)(=O)=O
Show InChI InChI=1S/C39H38Cl2F4N6O7S/c1-21(52)28-18-48(19-34(53)49-16-24(42)11-32(49)38(55)46-14-22-5-3-7-29(40)36(22)44)31-13-26(9-10-27(28)31)51(59(2,57)58)20-35(54)50-17-25(43)12-33(50)39(56)47-15-23-6-4-8-30(41)37(23)45/h3-10,13,18,24-25,32-33H,11-12,14-17,19-20H2,1-2H3,(H,46,55)(H,47,56)/t24-,25-,32+,33+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303035
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccccc2N2CCOC2=O)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C30H28FN7O5/c1-18(39)23-15-36(25-7-6-20(11-22(23)25)34-21-12-32-17-33-13-21)16-28(40)38-14-19(31)10-27(38)29(41)35-24-4-2-3-5-26(24)37-8-9-43-30(37)42/h2-7,11-13,15,17,19,27,34H,8-10,14,16H2,1H3,(H,35,41)/t19-,27+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303047
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)C2C[C@H](F)C[C@H]2C(=O)Nc2noc3cc(ccc23)C(F)(F)F)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C30H24F4N6O4/c1-15(41)24-12-40(25-5-3-18(9-21(24)25)37-19-10-35-14-36-11-19)13-26(42)22-7-17(31)8-23(22)29(43)38-28-20-4-2-16(30(32,33)34)6-27(20)44-39-28/h2-6,9-12,14,17,22-23,37H,7-8,13H2,1H3,(H,38,39,43)/t17-,22?,23+/m0/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303016
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Cc2cccc3CN(Cc23)c2ccccn2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C35H32FN7O3/c1-22(44)29-18-41(31-9-8-26(13-28(29)31)40-27-14-37-21-38-15-27)20-35(46)43-17-25(36)12-32(43)33(45)11-23-5-4-6-24-16-42(19-30(23)24)34-7-2-3-10-39-34/h2-10,13-15,18,21,25,32,40H,11-12,16-17,19-20H2,1H3/t25-,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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303029
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2nnc(s2)-c2ccccc2Cl)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C29H24ClFN8O3S/c1-16(40)22-13-38(24-7-6-18(9-21(22)24)34-19-10-32-15-33-11-19)14-26(41)39-12-17(31)8-25(39)27(42)35-29-37-36-28(43-29)20-4-2-3-5-23(20)30/h2-7,9-11,13,15,17,25,34H,8,12,14H2,1H3,(H,35,37,42)/t17-,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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303032
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)c2-n2cncn2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C29H25ClFN9O3/c1-17(41)22-12-38(25-6-5-19(8-21(22)25)36-20-9-32-14-33-10-20)13-27(42)39-11-18(31)7-26(39)29(43)37-24-4-2-3-23(30)28(24)40-16-34-15-35-40/h2-6,8-10,12,14-16,18,26,36H,7,11,13H2,1H3,(H,37,43)/t18-,26+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303048
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc(CN)cc2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C28H28FN7O3/c1-17(37)24-14-35(25-7-6-21(9-23(24)25)33-22-11-31-16-32-12-22)15-27(38)36-13-19(29)8-26(36)28(39)34-20-4-2-18(10-30)3-5-20/h2-7,9,11-12,14,16,19,26,33H,8,10,13,15,30H2,1H3,(H,34,39)/t19-,26+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303056
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccccc2-c2nncn2C)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C30H28FN9O3/c1-18(41)24-14-39(26-8-7-20(10-23(24)26)35-21-11-32-16-33-12-21)15-28(42)40-13-19(31)9-27(40)30(43)36-25-6-4-3-5-22(25)29-37-34-17-38(29)2/h3-8,10-12,14,16-17,19,27,35H,9,13,15H2,1-2H3,(H,36,43)/t19-,27+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303055
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2nc(ns2)-c2cccc(Cl)c2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C29H24ClFN8O3S/c1-16(40)23-13-38(24-6-5-20(9-22(23)24)34-21-10-32-15-33-11-21)14-26(41)39-12-19(31)8-25(39)28(42)36-29-35-27(37-43-29)17-3-2-4-18(30)7-17/h2-7,9-11,13,15,19,25,34H,8,12,14H2,1H3,(H,35,36,37,42)/t19-,25+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303023
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCCc3nc(sc23)-c2ccc(F)cc2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C34H31F2N7O3S/c1-19(44)26-16-42(29-10-9-23(12-25(26)29)39-24-13-37-18-38-14-24)17-31(45)43-15-22(36)11-30(43)33(46)40-27-3-2-4-28-32(27)47-34(41-28)20-5-7-21(35)8-6-20/h5-10,12-14,16,18,22,27,30,39H,2-4,11,15,17H2,1H3,(H,40,46)/t22-,27?,30+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303045
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2nc(cs2)-c2ccc3CCCCc3c2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C34H32FN7O3S/c1-20(43)28-16-41(30-9-8-25(12-27(28)30)38-26-13-36-19-37-14-26)17-32(44)42-15-24(35)11-31(42)33(45)40-34-39-29(18-46-34)23-7-6-21-4-2-3-5-22(21)10-23/h6-10,12-14,16,18-19,24,31,38H,2-5,11,15,17H2,1H3,(H,39,40,45)/t24-,31+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303034
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(C(=O)CN2C[C@H](F)C[C@H]2C(=O)Nc2nnc(s2)-c2ccc(Cl)c(Cl)c2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C29H23Cl2FN8O3S/c1-15(41)21-12-40(24-5-3-18(8-20(21)24)35-19-9-33-14-34-10-19)26(42)13-39-11-17(32)7-25(39)27(43)36-29-38-37-28(44-29)16-2-4-22(30)23(31)6-16/h2-6,8-10,12,14,17,25,35H,7,11,13H2,1H3,(H,36,38,43)/t17-,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 US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303036
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cc(C)nc3nc(nn23)C(F)(F)F)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C28H24F4N10O3/c1-14-5-23(42-27(35-14)38-26(39-42)28(30,31)32)37-25(45)22-6-16(29)10-41(22)24(44)12-40-11-20(15(2)43)19-7-17(3-4-21(19)40)36-18-8-33-13-34-9-18/h3-5,7-9,11,13,16,22,36H,6,10,12H2,1-2H3,(H,37,45)/t16-,22+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM303027
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccccc2-c2nc3ccccc3s2)c2ccc(Nc3cncnc3)cc12
Show InChI InChI=1S/C34H28FN7O3S/c1-20(43)26-17-41(29-11-10-22(13-25(26)29)38-23-14-36-19-37-15-23)18-32(44)42-16-21(35)12-30(42)33(45)39-27-7-3-2-6-24(27)34-40-28-8-4-5-9-31(28)46-34/h2-11,13-15,17,19,21,30,38H,12,16,18H2,1H3,(H,39,45)/t21-,30+/m1/s1
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ACHILLION PHARMACEUTICALS, INC.

US Patent


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


US Patent US9598446 (2017)

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