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Patent code US9732104

Compile Data Set for Download or QSAR
Found 43 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))		BDBM335509
PNG
(3-acetyl-1-(2-((2S,4R)-2-(3- chloro-2- fluorobenzy...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OS(=O)(=O)C(F)(F)F)ccc12
Show InChI InChI=1S/C25H21ClF5N3O6S/c1-13(35)18-11-33(20-8-16(5-6-17(18)20)40-41(38,39)25(29,30)31)12-22(36)34-10-15(27)7-21(34)24(37)32-9-14-3-2-4-19(26)23(14)28/h2-6,8,11,15,21H,7,9-10,12H2,1H3,(H,32,37)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335550
PNG
((2S,4R)-1-(2-(3-acetyl-5-(5- methylpyrimidin-2-ylo...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3ncc(C)cn3)cc12
Show InChI InChI=1S/C34H28ClF2N5O4/c1-19-14-38-34(39-15-19)46-22-10-11-29-25(13-22)26(20(2)43)17-41(29)18-31(44)42-16-21(36)12-30(42)33(45)40-28-9-5-7-24(32(28)37)23-6-3-4-8-27(23)35/h3-11,13-15,17,21,30H,12,16,18H2,1-2H3,(H,40,45)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335513
PNG
((2S,4R)-1-(2-(3-acetyl-6-(2- cyclopropylethoxy)-1H...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCCC3CC3)ccc12
Show InChI InChI=1S/C29H30ClF2N3O4/c1-17(36)23-15-34(25-12-21(7-8-22(23)25)39-10-9-18-5-6-18)16-27(37)35-14-20(31)11-26(35)29(38)33-13-19-3-2-4-24(30)28(19)32/h2-4,7-8,12,15,18,20,26H,5-6,9-11,13-14,16H2,1H3,(H,33,38)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335521
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(OCP(O)(O)=O)cc12
Show InChI InChI=1S/C25H25ClF2N3O7P/c1-14(32)19-11-30(21-6-5-17(8-18(19)21)38-13-39(35,36)37)12-23(33)31-10-16(27)7-22(31)25(34)29-9-15-3-2-4-20(26)24(15)28/h2-6,8,11,16,22H,7,9-10,12-13H2,1H3,(H,29,34)(H2,35,36,37)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335527
PNG
((2S,4R)-1-(2-(3-acetyl-6- (sulfamoylmethoxy)- 1H-i...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCS(N)(=O)=O)ccc12
Show InChI InChI=1S/C25H25ClF2N4O6S/c1-14(33)19-11-31(21-8-17(5-6-18(19)21)38-13-39(29,36)37)12-23(34)32-10-16(27)7-22(32)25(35)30-9-15-3-2-4-20(26)24(15)28/h2-6,8,11,16,22H,7,9-10,12-13H2,1H3,(H,30,35)(H2,29,36,37)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335530
PNG
(3-(hexadecyloxy)propyl hydrogen (3-acetyl-1-(2- ((...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)COc1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C44H63ClF2N3O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-56-24-18-25-58-59(54,55)32-57-36-21-22-37-38(33(2)51)30-49(40(37)27-36)31-42(52)50-29-35(46)26-41(50)44(53)48-28-34-19-17-20-39(45)43(34)47/h17,19-22,27,30,35,41H,3-16,18,23-26,28-29,31-32H2,1-2H3,(H,48,53)(H,54,55)/t35-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335533
PNG
(1,1'-(((3-acetyl-1-(2- ((2S,4R)-2-(3-chloro-2- flu...)
Show SMILES CCC(=O)OC(OP(=O)(COc1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O)OC(OC(=O)CC)C(C)C)C(C)C
Show InChI InChI=1S/C39H49ClF2N3O11P/c1-8-34(48)53-38(22(3)4)55-57(51,56-39(23(5)6)54-35(49)9-2)21-52-27-13-14-28-29(24(7)46)19-44(31(28)16-27)20-33(47)45-18-26(41)15-32(45)37(50)43-17-25-11-10-12-30(40)36(25)42/h10-14,16,19,22-23,26,32,38-39H,8-9,15,17-18,20-21H2,1-7H3,(H,43,50)/t26-,32+,38?,39?,57?/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335540
PNG
((2S,4R)-1-(2-(3-acetyl-6- (pyrimidin-2-yloxy)-1H- ...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(Oc3ncccn3)ccc12
Show InChI InChI=1S/C28H24ClF2N5O4/c1-16(37)21-14-35(23-11-19(6-7-20(21)23)40-28-32-8-3-9-33-28)15-25(38)36-13-18(30)10-24(36)27(39)34-12-17-4-2-5-22(29)26(17)31/h2-9,11,14,18,24H,10,12-13,15H2,1H3,(H,34,39)/t18-,24+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


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

US Patent US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335546
PNG
((2S,4R)-1-(2-(3-acetyl-5-(2- cyanopyrimidin-5-ylox...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3cnc(nc3)C#N)cc12
Show InChI InChI=1S/C34H25ClF2N6O4/c1-19(44)26-17-42(29-10-9-21(12-25(26)29)47-22-14-39-31(13-38)40-15-22)18-32(45)43-16-20(36)11-30(43)34(46)41-28-8-4-6-24(33(28)37)23-5-2-3-7-27(23)35/h2-10,12,14-15,17,20,30H,11,16,18H2,1H3,(H,41,46)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335551
PNG
((2S,4R)-1-(2-(3-acetyl-5-(5- methylpyrimidin-2-ylo...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(Oc3ncc(C)cn3)cc12
Show InChI InChI=1S/C27H24BrFN6O4/c1-15-10-30-27(31-11-15)39-18-6-7-21-19(9-18)20(16(2)36)13-34(21)14-25(37)35-12-17(29)8-22(35)26(38)33-24-5-3-4-23(28)32-24/h3-7,9-11,13,17,22H,8,12,14H2,1-2H3,(H,32,33,38)/t17-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335531
PNG
((((3-acetyl-1-(2- ((2S,4R)-2-(3-chloro-2- fluorobe...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)ccc12
Show InChI InChI=1S/C37H45ClF2N3O11P/c1-22(44)27-17-42(18-31(45)43-16-24(39)13-30(43)33(46)41-15-23-9-8-10-28(38)32(23)40)29-14-25(11-12-26(27)29)52-21-55(49,53-19-50-34(47)36(2,3)4)54-20-51-35(48)37(5,6)7/h8-12,14,17,24,30H,13,15-16,18-21H2,1-7H3,(H,41,46)/t24-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335534
PNG
((2S,2'S)-isopropyl 2,2'- (((3-acetyl-1-(2-((2S,4R)...)
Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(COc1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O)N[C@@H](C)C(=O)OC(C)C
Show InChI InChI=1S/C37H47ClF2N5O9P/c1-20(2)53-36(49)22(5)42-55(51,43-23(6)37(50)54-21(3)4)19-52-27-11-12-28-29(24(7)46)17-44(31(28)14-27)18-33(47)45-16-26(39)13-32(45)35(48)41-15-25-9-8-10-30(38)34(25)40/h8-12,14,17,20-23,26,32H,13,15-16,18-19H2,1-7H3,(H,41,48)(H2,42,43,51)/t22-,23-,26+,32-/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335535
PNG
((3-acetyl-1-(2-((2S,4R)-4- fluoro-2-(3-fluoro-4- (...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc(OC(F)(F)F)c(F)c2)c2cc(OCP(O)(O)=O)ccc12
Show InChI InChI=1S/C25H23F5N3O8P/c1-13(34)18-10-32(20-8-16(3-4-17(18)20)40-12-42(37,38)39)11-23(35)33-9-14(26)6-21(33)24(36)31-15-2-5-22(19(27)7-15)41-25(28,29)30/h2-5,7-8,10,14,21H,6,9,11-12H2,1H3,(H,31,36)(H2,37,38,39)/t14-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335541
PNG
(1-(2-((2S,4R)-2-(2'-chloro- 2-fluorobiphenyl-3- yl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3cncnc3)cc12
Show InChI InChI=1S/C31H24ClF2N7O4/c32-23-6-2-1-4-20(23)21-5-3-7-24(28(21)34)38-31(44)26-10-17(33)14-40(26)27(42)15-41-25-9-8-18(45-19-12-36-16-37-13-19)11-22(25)29(39-41)30(35)43/h1-9,11-13,16-17,26H,10,14-15H2,(H2,35,43)(H,38,44)/t17-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335516
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(OCP(O)(O)=O)ccc12
Show InChI InChI=1S/C25H25ClF2N3O7P/c1-14(32)19-11-30(21-8-17(5-6-18(19)21)38-13-39(35,36)37)12-23(33)31-10-16(27)7-22(31)25(34)29-9-15-3-2-4-20(26)24(15)28/h2-6,8,11,16,22H,7,9-10,12-13H2,1H3,(H,29,34)(H2,35,36,37)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335517
PNG
(3-acetyl-1-(2-((2S,4R)-2- (3-chloro-2- fluorobenzy...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OS(=O)(=O)C(F)(F)F)cc12
Show InChI InChI=1S/C25H21ClF5N3O6S/c1-13(35)18-11-33(20-6-5-16(8-17(18)20)40-41(38,39)25(29,30)31)12-22(36)34-10-15(27)7-21(34)24(37)32-9-14-3-2-4-19(26)23(14)28/h2-6,8,11,15,21H,7,9-10,12H2,1H3,(H,32,37)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335525
PNG
((2S,4R)-1-(2-(3-acetyl-6-(N- tert-butylsulfamoylme...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCS(=O)(=O)NC(C)(C)C)ccc12
Show InChI InChI=1S/C29H33ClF2N4O6S/c1-17(37)22-14-35(24-11-20(8-9-21(22)24)42-16-43(40,41)34-29(2,3)4)15-26(38)36-13-19(31)10-25(36)28(39)33-12-18-6-5-7-23(30)27(18)32/h5-9,11,14,19,25,34H,10,12-13,15-16H2,1-4H3,(H,33,39)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335528
PNG
(US9732104, Compound 18 | diethyl (3-acetyl-1-(2- (...)
Show SMILES CCOP(=O)(COc1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)N[C@H](C)c3cccc(Cl)c3F)c2c1)C(C)=O)OCC
Show InChI InChI=1S/C30H35ClF2N3O7P/c1-5-42-44(40,43-6-2)17-41-21-10-11-23-24(19(4)37)15-35(26(23)13-21)16-28(38)36-14-20(32)12-27(36)30(39)34-18(3)22-8-7-9-25(31)29(22)33/h7-11,13,15,18,20,27H,5-6,12,14,16-17H2,1-4H3,(H,34,39)/t18-,20-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335544
PNG
((1R,3S,5R)-2-(2-(3-acetyl-5- (5-bromopyrimidin-2-y...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3ncc(Br)cn3)cc12
Show InChI InChI=1S/C34H26BrClFN5O4/c1-18(43)25-16-41(28-10-9-21(13-24(25)28)46-34-38-14-20(35)15-39-34)17-31(44)42-29-11-19(29)12-30(42)33(45)40-27-8-4-6-23(32(27)37)22-5-2-3-7-26(22)36/h2-10,13-16,19,29-30H,11-12,17H2,1H3,(H,40,45)/t19-,29-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335553
PNG
((2S,4R)-1-(2-(3-acetyl-5-(2- chloropyrimidin-5-ylo...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3cnc(Cl)nc3)cc12
Show InChI InChI=1S/C33H25Cl2F2N5O4/c1-18(43)25-16-41(28-10-9-20(12-24(25)28)46-21-13-38-33(35)39-14-21)17-30(44)42-15-19(36)11-29(42)32(45)40-27-8-4-6-23(31(27)37)22-5-2-3-7-26(22)34/h2-10,12-14,16,19,29H,11,15,17H2,1H3,(H,40,45)/t19-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335523
PNG
((((3-acetyl-1-(2-((2S,4R)- 2-(3-chloro-2- fluorobe...)
Show SMILES CC(C)OC(=O)OCOP(O)(=O)COc1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C30H33ClF2N3O10P/c1-17(2)46-30(40)43-15-45-47(41,42)16-44-21-7-8-22-23(18(3)37)13-35(25(22)10-21)14-27(38)36-12-20(32)9-26(36)29(39)34-11-19-5-4-6-24(31)28(19)33/h4-8,10,13,17,20,26H,9,11-12,14-16H2,1-3H3,(H,34,39)(H,41,42)/t20-,26+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


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

US Patent US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335526
PNG
((3-acetyl-1-(2-((2S,4R)-2- (3-chloro-2- fluorobenz...)
Show SMILES CCP(O)(=O)COc1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C27H29ClF2N3O6P/c1-3-40(37,38)15-39-19-7-8-20-21(16(2)34)13-32(23(20)10-19)14-25(35)33-12-18(29)9-24(33)27(36)31-11-17-5-4-6-22(28)26(17)30/h4-8,10,13,18,24H,3,9,11-12,14-15H2,1-2H3,(H,31,36)(H,37,38)/t18-,24+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


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

US Patent US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335539
PNG
(1-(2-((2S,4R)-2-(2'-chloro- 2-fluorobiphenyl-3- yl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2cc(OCS(N)(=O)=O)ccc12
Show InChI InChI=1S/C28H25ClF2N6O6S/c29-20-6-2-1-4-17(20)18-5-3-7-21(25(18)31)34-28(40)23-10-15(30)12-36(23)24(38)13-37-22-11-16(43-14-44(33,41)42)8-9-19(22)26(35-37)27(32)39/h1-9,11,15,23H,10,12-14H2,(H2,32,39)(H,34,40)(H2,33,41,42)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335542
PNG
((2S,4R)-1-(2-(3-acetyl-6- (pyrimidin-2-yloxy)-1H- ...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2cc(Oc3ncccn3)ccc12
Show InChI InChI=1S/C33H26ClF2N5O4/c1-19(42)25-17-40(28-15-21(10-11-23(25)28)45-33-37-12-5-13-38-33)18-30(43)41-16-20(35)14-29(41)32(44)39-27-9-4-7-24(31(27)36)22-6-2-3-8-26(22)34/h2-13,15,17,20,29H,14,16,18H2,1H3,(H,39,44)/t20-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335545
PNG
((2S,4R)-1-(2-(3-acetyl-5-(5- bromopyrimidin-2-ylox...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(Oc3ncc(Br)cn3)cc12
Show InChI InChI=1S/C26H21Br2FN6O4/c1-14(36)19-12-34(20-6-5-17(8-18(19)20)39-26-30-9-15(27)10-31-26)13-24(37)35-11-16(29)7-21(35)25(38)33-23-4-2-3-22(28)32-23/h2-6,8-10,12,16,21H,7,11,13H2,1H3,(H,32,33,38)/t16-,21+/m1/s1
PDB

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Achillion Pharmaceuticals, Inc.

US Patent


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

US Patent US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335532
PNG
((3-acetyl-1-(2-((2S,4R)- 2-((3-chloro-2-fluoro- ph...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2CNS(=O)(=O)c2cccc(Cl)c2F)c2cc(OCP(O)(O)=O)ccc12
Show InChI InChI=1S/C24H25ClF2N3O8PS/c1-14(31)19-11-29(21-8-17(5-6-18(19)21)38-13-39(33,34)35)12-23(32)30-10-15(26)7-16(30)9-28-40(36,37)22-4-2-3-20(25)24(22)27/h2-6,8,11,15-16,28H,7,9-10,12-13H2,1H3,(H2,33,34,35)/t15-,16+/m1/s1
PDB

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Achillion Pharmaceuticals, Inc.

US Patent


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

US Patent US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335537
PNG
((3-acetyl-1-(2-((2S,4R)- 4-fluoro-2-(2-fluoro-3- (...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2cc(OCP(O)(O)=O)ccc12
Show InChI InChI=1S/C25H23F5N3O8P/c1-13(34)17-10-32(19-8-15(5-6-16(17)19)40-12-42(37,38)39)11-22(35)33-9-14(26)7-20(33)24(36)31-18-3-2-4-21(23(18)27)41-25(28,29)30/h2-6,8,10,14,20H,7,9,11-12H2,1H3,(H,31,36)(H2,37,38,39)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335538
PNG
(6-(N-tert- butylsulfamoylmethoxy)- 1-(2-((2S,4R)-2...)
Show SMILES CC(C)(C)NS(=O)(=O)COc1ccc2c(nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)c2c1)C(N)=O
Show InChI InChI=1S/C32H33ClF2N6O6S/c1-32(2,3)39-48(45,46)17-47-19-11-12-22-25(14-19)41(38-29(22)30(36)43)16-27(42)40-15-18(34)13-26(40)31(44)37-24-10-6-8-21(28(24)35)20-7-4-5-9-23(20)33/h4-12,14,18,26,39H,13,15-17H2,1-3H3,(H2,36,43)(H,37,44)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335552
PNG
((2S,4R)-1-(2-(3-acetyl-5-(5- (trifluoromethyl)pyri...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3ncc(cn3)C(F)(F)F)cc12
Show InChI InChI=1S/C34H25ClF5N5O4/c1-18(46)25-16-44(28-10-9-21(12-24(25)28)49-33-41-13-19(14-42-33)34(38,39)40)17-30(47)45-15-20(36)11-29(45)32(48)43-27-8-4-6-23(31(27)37)22-5-2-3-7-26(22)35/h2-10,12-14,16,20,29H,11,15,17H2,1H3,(H,43,48)/t20-,29+/m1/s1
PDB

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Achillion Pharmaceuticals, Inc.

US Patent


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

US Patent US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335508
PNG
((2S,4R)-1-(2-(3-acetyl-6- (cyclopropylmethoxy)- 1H...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC3CC3)ccc12
Show InChI InChI=1S/C28H28ClF2N3O4/c1-16(35)22-13-33(24-10-20(7-8-21(22)24)38-15-17-5-6-17)14-26(36)34-12-19(30)9-25(34)28(37)32-11-18-3-2-4-23(29)27(18)31/h2-4,7-8,10,13,17,19,25H,5-6,9,11-12,14-15H2,1H3,(H,32,37)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335548
PNG
((2S,4R)-1-(2-(3-acetyl-5- (pyrimidin-2-yloxy)-1H- ...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3ncccn3)cc12
Show InChI InChI=1S/C33H26ClF2N5O4/c1-19(42)25-17-40(28-11-10-21(15-24(25)28)45-33-37-12-5-13-38-33)18-30(43)41-16-20(35)14-29(41)32(44)39-27-9-4-7-23(31(27)36)22-6-2-3-8-26(22)34/h2-13,15,17,20,29H,14,16,18H2,1H3,(H,39,44)/t20-,29+/m1/s1
PDB

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Achillion Pharmaceuticals, Inc.

US Patent


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

US Patent US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335520
PNG
(US9732104, Compound 10 | diethyl (3-acetyl-1-(2- (...)
Show SMILES CCOP(=O)(COc1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)cc(C(C)=O)c2c1)OCC
Show InChI InChI=1S/C29H33ClF2N3O7P/c1-4-41-43(39,42-5-2)17-40-21-9-10-25-22(12-21)23(18(3)36)15-34(25)16-27(37)35-14-20(31)11-26(35)29(38)33-13-19-7-6-8-24(30)28(19)32/h6-10,12,15,20,26H,4-5,11,13-14,16-17H2,1-3H3,(H,33,38)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335529
PNG
((3-acetyl-1-(2-((2S,4R)- 2-((R)-1-(3-chloro-2- flu...)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1cc(C(C)=O)c2ccc(OCP(O)(O)=O)cc12)c1cccc(Cl)c1F
Show InChI InChI=1S/C26H27ClF2N3O7P/c1-14(18-4-3-5-21(27)25(18)29)30-26(35)23-8-16(28)10-32(23)24(34)12-31-11-20(15(2)33)19-7-6-17(9-22(19)31)39-13-40(36,37)38/h3-7,9,11,14,16,23H,8,10,12-13H2,1-2H3,(H,30,35)(H2,36,37,38)/t14-,16-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335543
PNG
((2S,4R)-1-(2-(3-acetyl-5-(5- bromopyrimidin-2-ylox...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3ncc(Br)cn3)cc12
Show InChI InChI=1S/C33H25BrClF2N5O4/c1-18(43)25-16-41(28-10-9-21(12-24(25)28)46-33-38-13-19(34)14-39-33)17-30(44)42-15-20(36)11-29(42)32(45)40-27-8-4-6-23(31(27)37)22-5-2-3-7-26(22)35/h2-10,12-14,16,20,29H,11,15,17H2,1H3,(H,40,45)/t20-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335512
PNG
((2S,4R)-1-(2-(3-acetyl-6- (cyclopropylmethoxy)-1H-...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2cc(OCC3CC3)ccc12
Show InChI InChI=1S/C28H26F5N3O5/c1-15(37)20-12-35(22-10-18(7-8-19(20)22)40-14-16-5-6-16)13-25(38)36-11-17(29)9-23(36)27(39)34-21-3-2-4-24(26(21)30)41-28(31,32)33/h2-4,7-8,10,12,16-17,23H,5-6,9,11,13-14H2,1H3,(H,34,39)/t17-,23+/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335510
PNG
((1R,3S,5R)-2-(2-(3-acetyl-6- (cyclopropylmethoxy)-...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC3CC3)ccc12
Show InChI InChI=1S/C29H29ClFN3O4/c1-16(35)22-13-33(25-11-20(7-8-21(22)25)38-15-17-5-6-17)14-27(36)34-24-9-19(24)10-26(34)29(37)32-12-18-3-2-4-23(30)28(18)31/h2-4,7-8,11,13,17,19,24,26H,5-6,9-10,12,14-15H2,1H3,(H,32,37)/t19-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335515
PNG
(US9732104, Compound 7 | diethyl (3-acetyl-1-(2- ((...)
Show SMILES CCOP(=O)(COc1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O)OCC
Show InChI InChI=1S/C29H33ClF2N3O7P/c1-4-41-43(39,42-5-2)17-40-21-9-10-22-23(18(3)36)15-34(25(22)12-21)16-27(37)35-14-20(31)11-26(35)29(38)33-13-19-7-6-8-24(30)28(19)32/h6-10,12,15,20,26H,4-5,11,13-14,16-17H2,1-3H3,(H,33,38)/t20-,26+/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335522
PNG
((((3-acetyl-1-(2- ((2S,4R)-2-(3-chloro-2- fluorobe...)
Show SMILES CC(C)OC(=O)OCOP(=O)(COc1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O)OCOC(=O)OC(C)C
Show InChI InChI=1S/C35H41ClF2N3O13P/c1-20(2)53-34(45)48-17-51-55(47,52-18-49-35(46)54-21(3)4)19-50-25-9-10-26-27(22(5)42)15-40(29(26)12-25)16-31(43)41-14-24(37)11-30(41)33(44)39-13-23-7-6-8-28(36)32(23)38/h6-10,12,15,20-21,24,30H,11,13-14,16-19H2,1-5H3,(H,39,44)/t24-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335524
PNG
(US9732104, Compound 14 | ethyl (3-acetyl-1-(2- ((2...)
Show SMILES CCOP(=O)(CC)COc1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C29H33ClF2N3O6P/c1-4-41-42(39,5-2)17-40-21-9-10-22-23(18(3)36)15-34(25(22)12-21)16-27(37)35-14-20(31)11-26(35)29(38)33-13-19-7-6-8-24(30)28(19)32/h6-10,12,15,20,26H,4-5,11,13-14,16-17H2,1-3H3,(H,33,38)/t20-,26+,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335536
PNG
((3-acetyl-1-(2-((2S,4R)-4- fluoro-2-(3-phenoxy- ph...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Oc3ccccc3)c2)c2cc(OCP(O)(O)=O)ccc12
Show InChI InChI=1S/C30H29FN3O8P/c1-19(35)26-16-33(27-14-23(10-11-25(26)27)41-18-43(38,39)40)17-29(36)34-15-20(31)12-28(34)30(37)32-21-6-5-9-24(13-21)42-22-7-3-2-4-8-22/h2-11,13-14,16,20,28H,12,15,17-18H2,1H3,(H,32,37)(H2,38,39,40)/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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335547
PNG
((2S,4R)-1-(2-(3-acetyl-5-(5- fluoropyrimidin-2-ylo...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3ncc(F)cn3)cc12
Show InChI InChI=1S/C33H25ClF3N5O4/c1-18(43)25-16-41(28-10-9-21(12-24(25)28)46-33-38-13-20(36)14-39-33)17-30(44)42-15-19(35)11-29(42)32(45)40-27-8-4-6-23(31(27)37)22-5-2-3-7-26(22)34/h2-10,12-14,16,19,29H,11,15,17H2,1H3,(H,40,45)/t19-,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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335549
PNG
((2S,4R)-1-(2-(3-acetyl-5- (pyrimidin-2-yloxy)-1H- ...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(Oc3ncccn3)cc12
Show InChI InChI=1S/C26H22BrFN6O4/c1-15(35)19-13-33(20-7-6-17(11-18(19)20)38-26-29-8-3-9-30-26)14-24(36)34-12-16(28)10-21(34)25(37)32-23-5-2-4-22(27)31-23/h2-9,11,13,16,21H,10,12,14H2,1H3,(H,31,32,37)/t16-,21+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


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

US Patent US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))		BDBM335514
PNG
((2S,4R)-1-(2-(3-acetyl-6- ((tricyclo[8.2.2.24,7]he...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCc3cc4CCc5ccc(CCc3cc4)cc5)ccc12
Show InChI InChI=1S/C41H38ClF2N3O4/c1-25(48)35-22-46(23-39(49)47-21-32(43)18-38(47)41(50)45-20-30-3-2-4-36(42)40(30)44)37-19-33(15-16-34(35)37)51-24-31-17-28-10-9-26-5-7-27(8-6-26)11-13-29(31)14-12-28/h2-8,12,14-17,19,22,32,38H,9-11,13,18,20-21,23-24H2,1H3,(H,45,50)/t32-,38+/m1/s1
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n/an/a 5.50E+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 US9732104 (2017)

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