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Patent code US11001600

Compile Data Set for Download or QSAR
Found 13 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Complement factor D


(Homo sapiens (Human))
BDBM497370
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)c2cc(OCP(O)(O)=O)c(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C35H31ClF2N5O7P/c1-19(44)27-16-42(30-12-32(50-18-51(47,48)49)25(11-26(27)30)21-13-39-20(2)40-14-21)17-33(45)43-15-22(37)10-31(43)35(46)41-29-9-5-7-24(34(29)38)23-6-3-4-8-28(23)36/h3-9,11-14,16,22,31H,10,15,17-18H2,1-2H3,(H,41,46)(H2,47,48,49)/t22-,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 US11001600 (2021)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM497385
PNG
(US11001600, Cmp No. 47 | tert-butyl ((3- acetyl-1-...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)S(C)(=O)=NC(=O)OC(C)(C)C
Show InChI InChI=1S/C27H30BrFN6O6S/c1-15(36)24-18-12-17(42(5,40)33-26(39)41-27(2,3)4)9-10-19(18)35(32-24)14-23(37)34-13-16(29)11-20(34)25(38)31-22-8-6-7-21(28)30-22/h6-10,12,16,20H,11,13-14H2,1-5H3,(H,30,31,38)/t16-,20+,42?/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 US11001600 (2021)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM497378
PNG
((2S,4R)-1-(2-(3- acetyl-6-(2- (dimethylamino)-2- o...)
Show SMILES CN(C)C(=O)COc1cc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(Br)n3)nc(C(C)=O)c2cc1-c1cnc(C)nc1
Show InChI InChI=1S/C30H30BrFN8O5/c1-16(41)29-21-9-20(18-11-33-17(2)34-12-18)24(45-15-28(43)38(3)4)10-22(21)40(37-29)14-27(42)39-13-19(32)8-23(39)30(44)36-26-7-5-6-25(31)35-26/h5-7,9-12,19,23H,8,13-15H2,1-4H3,(H,35,36,44)/t19-,23+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


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


US Patent US11001600 (2021)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM497382
PNG
((2S,4R)-1-(2-(3- acetyl-6-(2- (dimethylamino) etho...)
Show SMILES CN(C)CCOc1cc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(Br)n3)nc(C(C)=O)c2cc1-c1cnc(C)nc1
Show InChI InChI=1S/C30H32BrFN8O4/c1-17(41)29-22-11-21(19-13-33-18(2)34-14-19)25(44-9-8-38(3)4)12-23(22)40(37-29)16-28(42)39-15-20(32)10-24(39)30(43)36-27-7-5-6-26(31)35-27/h5-7,11-14,20,24H,8-10,15-16H2,1-4H3,(H,35,36,43)/t20-,24+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


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


US Patent US11001600 (2021)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM497377
PNG
((3-acetyl-1-(2- ((2S,4R)-2-(6- bromopyridin-2- ylc...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2cc(OCP(O)(O)=O)c(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C28H27BrFN6O7P/c1-15(37)21-12-35(13-27(38)36-11-18(30)6-23(36)28(39)34-26-5-3-4-25(29)33-26)22-8-24(43-14-44(40,41)42)19(7-20(21)22)17-9-31-16(2)32-10-17/h3-5,7-10,12,18,23H,6,11,13-14H2,1-2H3,(H,33,34,39)(H2,40,41,42)/t18-,23+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


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


US Patent US11001600 (2021)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM497379
PNG
((2S,4R)-1-(2-(3- acetyl-6-(2- (benzyloxy)ethoxy)- ...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2cc(OCCOCc3ccccc3)c(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C35H33BrFN7O5/c1-21(45)34-27-14-26(24-16-38-22(2)39-17-24)30(49-12-11-48-20-23-7-4-3-5-8-23)15-28(27)44(42-34)19-33(46)43-18-25(37)13-29(43)35(47)41-32-10-6-9-31(36)40-32/h3-10,14-17,25,29H,11-13,18-20H2,1-2H3,(H,40,41,47)/t25-,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 US11001600 (2021)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM468665
PNG
((2S,4R)-1-(2-(3- acetyl-5-(S- methylsulfonimidoyl)...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)S(C)(=N)=O
Show InChI InChI=1S/C22H22BrFN6O4S/c1-12(31)21-15-9-14(35(2,25)34)6-7-16(15)30(28-21)11-20(32)29-10-13(24)8-17(29)22(33)27-19-5-3-4-18(23)26-19/h3-7,9,13,17,25H,8,10-11H2,1-2H3,(H,26,27,33)/t13-,17+,35?/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 US11001600 (2021)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM497383
PNG
(US11001600, Cmp No. 45 | tert-butyl((5-(3- acetyl-...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(nc1)S(C)(=O)=NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H32BrFN8O6S/c1-17(42)27-21-11-18(19-13-34-29(35-14-19)48(5,46)39-30(45)47-31(2,3)4)9-10-22(21)41(38-27)16-26(43)40-15-20(33)12-23(40)28(44)37-25-8-6-7-24(32)36-25/h6-11,13-14,20,23H,12,15-16H2,1-5H3,(H,36,37,44)/t20-,23+,48?/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 US11001600 (2021)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM472455
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2-(S- methylsulfonimid ...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(nc1)S(C)(=N)=O
Show InChI InChI=1S/C26H24BrFN8O4S/c1-14(37)24-18-8-15(16-10-30-26(31-11-16)41(2,29)40)6-7-19(18)36(34-24)13-23(38)35-12-17(28)9-20(35)25(39)33-22-5-3-4-21(27)32-22/h3-8,10-11,17,20,29H,9,12-13H2,1-2H3,(H,32,33,39)/t17-,20+,41?/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 US11001600 (2021)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM497380
PNG
((2S,4R)-1-(2-(3- acetyl-6-(2- (methoxymethoxy) eth...)
Show SMILES COCOCCOc1cc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(Br)n3)nc(C(C)=O)c2cc1-c1cnc(C)nc1
Show InChI InChI=1S/C30H31BrFN7O6/c1-17(40)29-22-10-21(19-12-33-18(2)34-13-19)25(45-8-7-44-16-43-3)11-23(22)39(37-29)15-28(41)38-14-20(32)9-24(38)30(42)36-27-6-4-5-26(31)35-27/h4-6,10-13,20,24H,7-9,14-16H2,1-3H3,(H,35,36,42)/t20-,24+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


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


US Patent US11001600 (2021)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM497357
PNG
(US11001600, Cmp No. 8 | diethyl (3-acetyl-1- (2-((...)
Show SMILES CCOP(=O)(COc1cc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c2cc1-c1cnc(C)nc1)OCC
Show InChI InChI=1S/C39H39ClF2N5O7P/c1-5-53-55(51,54-6-2)22-52-36-16-34-30(15-29(36)25-17-43-24(4)44-18-25)31(23(3)48)20-46(34)21-37(49)47-19-26(41)14-35(47)39(50)45-33-13-9-11-28(38(33)42)27-10-7-8-12-32(27)40/h7-13,15-18,20,26,35H,5-6,14,19,21-22H2,1-4H3,(H,45,50)/t26-,35+/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 US11001600 (2021)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM497381
PNG
((2S,4R)-1-(2-(3- acetyl-6-(2- hydroxyethoxy)-5- (2...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2cc(OCCO)c(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C28H27BrFN7O5/c1-15(39)27-20-9-19(17-11-31-16(2)32-12-17)23(42-7-6-38)10-21(20)37(35-27)14-26(40)36-13-18(30)8-22(36)28(41)34-25-5-3-4-24(29)33-25/h3-5,9-12,18,22,38H,6-8,13-14H2,1-2H3,(H,33,34,41)/t18-,22+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


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


US Patent US11001600 (2021)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM468660
PNG
(US10807952, Cmp No. 64 | US11001600, Cmp No. 49 | ...)
Show SMILES CC(C)(C)OC(=O)N=S(C)(=O)c1cccc(c1)-c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3ccccc23)c1F
Show InChI InChI=1S/C33H34F2N6O6S/c1-33(2,3)47-32(45)39-48(4,46)21-10-7-9-19(15-21)22-12-8-13-24(28(22)35)37-31(44)26-16-20(34)17-40(26)27(42)18-41-25-14-6-5-11-23(25)29(38-41)30(36)43/h5-15,20,26H,16-18H2,1-4H3,(H2,36,43)(H,37,44)/t20-,26+,48?/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 US11001600 (2021)

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