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USPatent US9695205

Compile data set for download or QSAR
Found 53 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
Complement factor D


(Homo sapiens (Human))		BDBM109093
PNG
(US9695205, 9)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3CCCC3)cc12 |r|
Show InChI InChI=1S/C29H30ClF2N5O4/c1-17(38)22-15-36(24-8-7-20(12-21(22)24)34-29(41)35-9-2-3-10-35)16-26(39)37-14-19(31)11-25(37)28(40)33-13-18-5-4-6-23(30)27(18)32/h4-8,12,15,19,25H,2-3,9-11,13-14,16H2,1H3,(H,33,40)(H,34,41)/t19-,25+/m1/s1
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n/an/a<1.00E+3n/an/an/an/a7.525



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111075
PNG
(US9695205, 53)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C(=O)NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C31H27ClF2N4O6S/c1-18(39)24-16-37(26-12-19(10-11-23(24)26)30(41)36-45(43,44)22-7-3-2-4-8-22)17-28(40)38-15-21(33)13-27(38)31(42)35-14-20-6-5-9-25(32)29(20)34/h2-12,16,21,27H,13-15,17H2,1H3,(H,35,42)(H,36,41)/t21-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109056
PNG
(US9695205, 2)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NCc3nn[nH]n3)cc12 |r|
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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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109061
PNG
(US9695205, 6)
Show SMILES CC(C)NC(=O)Nc1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)cc(C(C)=O)c2c1 |r|
Show InChI InChI=1S/C28H30ClF2N5O4/c1-15(2)33-28(40)34-19-7-8-23-20(10-19)21(16(3)37)13-35(23)14-25(38)36-12-18(30)9-24(36)27(39)32-11-17-5-4-6-22(29)26(17)31/h4-8,10,13,15,18,24H,9,11-12,14H2,1-3H3,(H,32,39)(H2,33,34,40)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109468
PNG
(US9695205, 20)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(n2)C(F)(F)F)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C29H28F6N6O4/c1-16(42)20-13-40(21-7-6-18(11-19(20)21)36-27(45)39-9-3-8-28(31,32)15-39)14-25(43)41-12-17(30)10-22(41)26(44)38-24-5-2-4-23(37-24)29(33,34)35/h2,4-7,11,13,17,22H,3,8-10,12,14-15H2,1H3,(H,36,45)(H,37,38,44)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109469
PNG
(US9695205, 21)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NCC(F)(F)F)cc12 |r|
Show InChI InChI=1S/C27H25ClF5N5O4/c1-14(39)19-11-37(21-6-5-17(8-18(19)21)36-26(42)35-13-27(31,32)33)12-23(40)38-10-16(29)7-22(38)25(41)34-9-15-3-2-4-20(28)24(15)30/h2-6,8,11,16,22H,7,9-10,12-13H2,1H3,(H,34,41)(H2,35,36,42)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111072
PNG
(US9695205, 50)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C(=O)NCC1CCN(C1)C(=O)OC(C)(C)C |r,w:36.40|
Show InChI InChI=1S/C35H40ClF2N5O6/c1-20(44)26-18-42(19-30(45)43-17-24(37)13-29(43)33(47)40-15-23-6-5-7-27(36)31(23)38)28-12-22(8-9-25(26)28)32(46)39-14-21-10-11-41(16-21)34(48)49-35(2,3)4/h5-9,12,18,21,24,29H,10-11,13-17,19H2,1-4H3,(H,39,46)(H,40,47)/t21?,24-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109058
PNG
(US9695205, 4)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NC3(C)CC3)cc12 |r|
Show InChI InChI=1S/C29H30ClF2N5O4/c1-16(38)21-14-36(23-7-6-19(11-20(21)23)34-28(41)35-29(2)8-9-29)15-25(39)37-13-18(31)10-24(37)27(40)33-12-17-4-3-5-22(30)26(17)32/h3-7,11,14,18,24H,8-10,12-13,15H2,1-2H3,(H,33,40)(H2,34,35,41)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109059
PNG
(US9695205, 5)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1cc(C(C)=O)c2cc(NC(=O)NC3CC3)ccc12)c1cccc(Cl)c1F |r|
Show InChI InChI=1S/C30H31ClFN5O4/c1-15(20-4-3-5-23(31)28(20)32)33-29(40)26-11-17-10-25(17)37(26)27(39)14-36-13-22(16(2)38)21-12-19(8-9-24(21)36)35-30(41)34-18-6-7-18/h3-5,8-9,12-13,15,17-18,25-26H,6-7,10-11,14H2,1-2H3,(H,33,40)(H2,34,35,41)/t15-,17-,25-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109178
PNG
(US9695205, 13)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3CCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C29H28ClF4N5O4/c1-16(40)21-13-38(23-6-5-19(10-20(21)23)36-28(43)37-8-7-29(33,34)15-37)14-25(41)39-12-18(31)9-24(39)27(42)35-11-17-3-2-4-22(30)26(17)32/h2-6,10,13,18,24H,7-9,11-12,14-15H2,1H3,(H,35,42)(H,36,43)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109358
PNG
(US9695205, 15)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)OCC3CC3)cc12 |r|
Show InChI InChI=1S/C29H29ClF2N4O5/c1-16(37)22-13-35(24-8-7-20(10-21(22)24)34-29(40)41-15-17-5-6-17)14-26(38)36-12-19(31)9-25(36)28(39)33-11-18-3-2-4-23(30)27(18)32/h2-4,7-8,10,13,17,19,25H,5-6,9,11-12,14-15H2,1H3,(H,33,39)(H,34,40)/t19-,25+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


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

US Patent US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109466
PNG
(US9695205, 19)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)Nc3ccon3)cc12 |r|
Show InChI InChI=1S/C28H25ClF2N6O5/c1-15(38)20-13-36(22-6-5-18(10-19(20)22)33-28(41)34-24-7-8-42-35-24)14-25(39)37-12-17(30)9-23(37)27(40)32-11-16-3-2-4-21(29)26(16)31/h2-8,10,13,17,23H,9,11-12,14H2,1H3,(H,32,40)(H2,33,34,35,41)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111052
PNG
(US9695205, 34)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C27H27BrF2N8O4/c28-20-3-1-4-21(33-20)34-25(41)19-10-14-9-18(14)38(19)22(39)12-37-17-6-5-15(11-16(17)23(35-37)24(31)40)32-26(42)36-8-2-7-27(29,30)13-36/h1,3-6,11,14,18-19H,2,7-10,12-13H2,(H2,31,40)(H,32,42)(H,33,34,41)/t14-,18-,19+/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111055
PNG
(US9695205, 37)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(NC(=O)OC(C)(C)C)ccc12 |r|
Show InChI InChI=1S/C29H31ClF2N4O5/c1-16(37)21-14-35(23-11-19(8-9-20(21)23)34-28(40)41-29(2,3)4)15-25(38)36-13-18(31)10-24(36)27(39)33-12-17-6-5-7-22(30)26(17)32/h5-9,11,14,18,24H,10,12-13,15H2,1-4H3,(H,33,39)(H,34,40)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111060
PNG
(US9695205, 41)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C28H27ClF2N4O4/c1-15(36)21-13-34(23-8-5-16(9-20(21)23)27(38)33-19-6-7-19)14-25(37)35-12-18(30)10-24(35)28(39)32-11-17-3-2-4-22(29)26(17)31/h2-5,8-9,13,18-19,24H,6-7,10-12,14H2,1H3,(H,32,39)(H,33,38)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109094
PNG
(US9695205, 10)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)NC3CC3)cc12 |r|
Show InChI InChI=1S/C28H26F5N5O5/c1-14(39)19-12-37(21-8-7-17(10-18(19)21)35-27(42)34-16-5-6-16)13-24(40)38-11-15(29)9-22(38)26(41)36-20-3-2-4-23(25(20)30)43-28(31,32)33/h2-4,7-8,10,12,15-16,22H,5-6,9,11,13H2,1H3,(H,36,41)(H2,34,35,42)/t15-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109393
PNG
(US9695205, 18)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C35H32ClF4N5O4/c1-20(46)26-17-44(29-11-10-22(15-25(26)29)41-34(49)43-13-5-12-35(39,40)19-43)18-31(47)45-16-21(37)14-30(45)33(48)42-28-9-4-7-24(32(28)38)23-6-2-3-8-27(23)36/h2-4,6-11,15,17,21,30H,5,12-14,16,18-19H2,1H3,(H,41,49)(H,42,48)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111049
PNG
(US9695205, 32)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(NC(=O)NCc3ncccn3)cc12 |r|
Show InChI InChI=1S/C33H28ClF2N9O4/c34-23-7-2-1-5-20(23)21-6-3-8-24(29(21)36)42-32(48)26-13-18(35)16-44(26)28(46)17-45-25-10-9-19(14-22(25)30(43-45)31(37)47)41-33(49)40-15-27-38-11-4-12-39-27/h1-12,14,18,26H,13,15-17H2,(H2,37,47)(H,42,48)(H2,40,41,49)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111050
PNG
(US9695205, 33)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C26H26BrF3N8O4/c27-19-3-1-4-20(33-19)34-24(41)18-9-14(28)11-37(18)21(39)12-38-17-6-5-15(10-16(17)22(35-38)23(31)40)32-25(42)36-8-2-7-26(29,30)13-36/h1,3-6,10,14,18H,2,7-9,11-13H2,(H2,31,40)(H,32,42)(H,33,34,41)/t14-,18+/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111054
PNG
(US9695205, 36)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(NC(=O)CC(F)(F)F)cc12 |r|
Show InChI InChI=1S/C32H26ClF5N4O4/c1-17(43)23-15-41(26-10-9-19(12-22(23)26)39-28(44)13-32(36,37)38)16-29(45)42-14-18(34)11-27(42)31(46)40-25-8-4-6-21(30(25)35)20-5-2-3-7-24(20)33/h2-10,12,15,18,27H,11,13-14,16H2,1H3,(H,39,44)(H,40,46)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111058
PNG
(US9695205, 40)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C(=O)N1CCCC(F)(F)C1 |r|
Show InChI InChI=1S/C30H29ClF4N4O4/c1-17(40)22-14-38(24-7-6-18(10-21(22)24)29(43)37-9-3-8-30(34,35)16-37)15-26(41)39-13-20(32)11-25(39)28(42)36-12-19-4-2-5-23(31)27(19)33/h2,4-7,10,14,20,25H,3,8-9,11-13,15-16H2,1H3,(H,36,42)/t20-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111063
PNG
(US9695205, 44)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C(=O)N[C@H]1CCN(C1)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C34H38ClF2N5O6/c1-19(43)25-17-41(18-29(44)42-15-22(36)13-28(42)32(46)38-14-21-6-5-7-26(35)30(21)37)27-12-20(8-9-24(25)27)31(45)39-23-10-11-40(16-23)33(47)48-34(2,3)4/h5-9,12,17,22-23,28H,10-11,13-16,18H2,1-4H3,(H,38,46)(H,39,45)/t22-,23+,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111074
PNG
(US9695205, 52)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C(=O)N1CCC(C1)C(O)=O |r,w:38.44|
Show InChI InChI=1S/C30H29ClF2N4O6/c1-16(38)22-14-36(24-9-17(5-6-21(22)24)29(41)35-8-7-19(12-35)30(42)43)15-26(39)37-13-20(32)10-25(37)28(40)34-11-18-3-2-4-23(31)27(18)33/h2-6,9,14,19-20,25H,7-8,10-13,15H2,1H3,(H,34,40)(H,42,43)/t19?,20-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109057
PNG
(US9695205, 3)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NC3CC3)cc12 |r|
Show InChI InChI=1S/C29H29ClFN5O4/c1-15(37)21-13-35(23-8-7-19(11-20(21)23)34-29(40)33-18-5-6-18)14-26(38)36-24-9-17(24)10-25(36)28(39)32-12-16-3-2-4-22(30)27(16)31/h2-4,7-8,11,13,17-18,24-25H,5-6,9-10,12,14H2,1H3,(H,32,39)(H2,33,34,40)/t17-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109103
PNG
(US9695205, 11)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)NC3CC3)cc12 |r|
Show InChI InChI=1S/C29H27F4N5O5/c1-14(39)19-12-37(21-8-7-17(11-18(19)21)35-28(42)34-16-5-6-16)13-25(40)38-22-9-15(22)10-23(38)27(41)36-20-3-2-4-24(26(20)30)43-29(31,32)33/h2-4,7-8,11-12,15-16,22-23H,5-6,9-10,13H2,1H3,(H,36,41)(H2,34,35,42)/t15-,22-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109104
PNG
(US9695205, 12)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3CCCC3)cc12 |r|
Show InChI InChI=1S/C30H31ClFN5O4/c1-17(38)22-15-36(24-8-7-20(13-21(22)24)34-30(41)35-9-2-3-10-35)16-27(39)37-25-11-19(25)12-26(37)29(40)33-14-18-5-4-6-23(31)28(18)32/h4-8,13,15,19,25-26H,2-3,9-12,14,16H2,1H3,(H,33,40)(H,34,41)/t19-,25-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109391
PNG
(US9695205, 17)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C30H28F7N5O5/c1-16(43)20-13-41(22-7-6-18(11-19(20)22)38-28(46)40-9-3-8-29(33,34)15-40)14-25(44)42-12-17(31)10-23(42)27(45)39-21-4-2-5-24(26(21)32)47-30(35,36)37/h2,4-7,11,13,17,23H,3,8-10,12,14-15H2,1H3,(H,38,46)(H,39,45)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM110146
PNG
(US9695205, 30)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(NC(=O)N3CCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C32H28ClF4N7O4/c33-22-6-2-1-4-19(22)20-5-3-7-23(27(20)35)40-30(47)25-12-17(34)14-43(25)26(45)15-44-24-9-8-18(13-21(24)28(41-44)29(38)46)39-31(48)42-11-10-32(36,37)16-42/h1-9,13,17,25H,10-12,14-16H2,(H2,38,46)(H,39,48)(H,40,47)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109091
PNG
(US9695205, 7)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NCc3ccon3)cc12 |r|
Show InChI InChI=1S/C29H27ClF2N6O5/c1-16(39)22-14-37(24-6-5-19(10-21(22)24)35-29(42)34-12-20-7-8-43-36-20)15-26(40)38-13-18(31)9-25(38)28(41)33-11-17-3-2-4-23(30)27(17)32/h2-8,10,14,18,25H,9,11-13,15H2,1H3,(H,33,41)(H2,34,35,42)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109385
PNG
(US9695205, 16)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C30H30ClF4N5O4/c1-17(41)22-14-39(24-7-6-20(11-21(22)24)37-29(44)38-9-3-8-30(34,35)16-38)15-26(42)40-13-19(32)10-25(40)28(43)36-12-18-4-2-5-23(31)27(18)33/h2,4-7,11,14,19,25H,3,8-10,12-13,15-16H2,1H3,(H,36,43)(H,37,44)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109944
PNG
(US9695205, 25)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)Nc3ccon3)cc12 |r|
Show InChI InChI=1S/C26H21F5N8O6/c27-12-8-17(24(42)34-15-2-1-3-18(21(15)28)45-26(29,30)31)38(10-12)20(40)11-39-16-5-4-13(9-14(16)22(36-39)23(32)41)33-25(43)35-19-6-7-44-37-19/h1-7,9,12,17H,8,10-11H2,(H2,32,41)(H,34,42)(H2,33,35,37,43)/t12-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM110040
PNG
(US9695205, 27)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C29H27F6N7O5/c30-23-17(3-1-4-21(23)47-29(33,34)35)38-26(45)20-10-14-9-19(14)42(20)22(43)12-41-18-6-5-15(11-16(18)24(39-41)25(36)44)37-27(46)40-8-2-7-28(31,32)13-40/h1,3-6,11,14,19-20H,2,7-10,12-13H2,(H2,36,44)(H,37,46)(H,38,45)/t14-,19-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111061
PNG
(US9695205, 42)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C(=O)N1CCC(CN)C1 |r,w:38.42|
Show InChI InChI=1S/C30H32ClF2N5O4/c1-17(39)23-15-37(25-9-19(5-6-22(23)25)30(42)36-8-7-18(11-34)13-36)16-27(40)38-14-21(32)10-26(38)29(41)35-12-20-3-2-4-24(31)28(20)33/h2-6,9,15,18,21,26H,7-8,10-14,16,34H2,1H3,(H,35,41)/t18?,21-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111076
PNG
(US9695205, 54)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2cc(ccc12)C(=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C31H27ClF2N6O6S/c32-22-6-2-1-4-19(22)20-5-3-7-23(27(20)34)36-31(44)25-13-17(33)14-39(25)26(41)15-40-24-12-16(8-11-21(24)28(37-40)29(35)42)30(43)38-47(45,46)18-9-10-18/h1-8,11-12,17-18,25H,9-10,13-15H2,(H2,35,42)(H,36,44)(H,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109055
PNG
(US9695205, 1)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NC3CC3)cc12 |r|
Show InChI InChI=1S/C28H28ClF2N5O4/c1-15(37)21-13-35(23-8-7-19(10-20(21)23)34-28(40)33-18-5-6-18)14-25(38)36-12-17(30)9-24(36)27(39)32-11-16-3-2-4-22(29)26(16)31/h2-4,7-8,10,13,17-18,24H,5-6,9,11-12,14H2,1H3,(H,32,39)(H2,33,34,40)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109092
PNG
(US9695205, 8)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)NCc3ncccn3)cc12 |r|
Show InChI InChI=1S/C30H28ClF2N7O4/c1-17(41)22-15-39(24-7-6-20(11-21(22)24)38-30(44)37-13-26-34-8-3-9-35-26)16-27(42)40-14-19(32)10-25(40)29(43)36-12-18-4-2-5-23(31)28(18)33/h2-9,11,15,19,25H,10,12-14,16H2,1H3,(H,36,43)(H2,37,38,44)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109545
PNG
(US9695205, 23)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)Nc3cncnc3)cc12 |r|
Show InChI InChI=1S/C29H26ClF2N7O4/c1-16(40)22-13-38(24-6-5-19(8-21(22)24)36-29(43)37-20-10-33-15-34-11-20)14-26(41)39-12-18(31)7-25(39)28(42)35-9-17-3-2-4-23(30)27(17)32/h2-6,8,10-11,13,15,18,25H,7,9,12,14H2,1H3,(H,35,42)(H2,36,37,43)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM110039
PNG
(US9695205, 26)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C28H26F7N7O5/c29-14-9-19(25(45)38-17-3-1-4-20(22(17)30)47-28(33,34)35)41(11-14)21(43)12-42-18-6-5-15(10-16(18)23(39-42)24(36)44)37-26(46)40-8-2-7-27(31,32)13-40/h1,3-6,10,14,19H,2,7-9,11-13H2,(H2,36,44)(H,37,46)(H,38,45)/t14-,19+/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM110042
PNG
(US9695205, 28)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C34H31ClF3N7O4/c35-23-7-2-1-5-20(23)21-6-3-8-24(29(21)36)41-32(48)27-14-18-13-26(18)45(27)28(46)16-44-25-10-9-19(15-22(25)30(42-44)31(39)47)40-33(49)43-12-4-11-34(37,38)17-43/h1-3,5-10,15,18,26-27H,4,11-14,16-17H2,(H2,39,47)(H,40,49)(H,41,48)/t18-,26-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111056
PNG
(US9695205, 38)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C(=O)N1CCC(=CC1)B(O)O |r,c:42|
Show InChI InChI=1S/C30H30BClF2N4O6/c1-17(39)23-15-37(25-6-5-18(11-22(23)25)30(42)36-9-7-20(8-10-36)31(43)44)16-27(40)38-14-21(33)12-26(38)29(41)35-13-19-3-2-4-24(32)28(19)34/h2-7,11,15,21,26,43-44H,8-10,12-14,16H2,1H3,(H,35,41)/t21-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111062
PNG
(US9695205, 43)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C(=O)NS(C)(=O)=O |r|
Show InChI InChI=1S/C26H25ClF2N4O6S/c1-14(34)19-12-32(21-8-15(6-7-18(19)21)25(36)31-40(2,38)39)13-23(35)33-11-17(28)9-22(33)26(37)30-10-16-4-3-5-20(27)24(16)29/h3-8,12,17,22H,9-11,13H2,1-2H3,(H,30,37)(H,31,36)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111065
PNG
(US9695205, 46)
Show SMILES CC(=O)N1CC[C@@H](C1)NC(=O)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O |r|
Show InChI InChI=1S/C31H32ClF2N5O5/c1-17(40)24-15-38(26-10-19(6-7-23(24)26)30(43)36-22-8-9-37(14-22)18(2)41)16-28(42)39-13-21(33)11-27(39)31(44)35-12-20-4-3-5-25(32)29(20)34/h3-7,10,15,21-22,27H,8-9,11-14,16H2,1-2H3,(H,35,44)(H,36,43)/t21-,22+,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111070
PNG
(US9695205, 48)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C(=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C28H27ClF2N4O6S/c1-15(36)21-13-34(23-9-16(5-8-20(21)23)27(38)33-42(40,41)19-6-7-19)14-25(37)35-12-18(30)10-24(35)28(39)32-11-17-3-2-4-22(29)26(17)31/h2-5,8-9,13,18-19,24H,6-7,10-12,14H2,1H3,(H,32,39)(H,33,38)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109199
PNG
(US9695205, 14)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)OC3CC3)cc12 |r|
Show InChI InChI=1S/C28H27ClF2N4O5/c1-15(36)21-13-34(23-8-5-18(10-20(21)23)33-28(39)40-19-6-7-19)14-25(37)35-12-17(30)9-24(35)27(38)32-11-16-3-2-4-22(29)26(16)31/h2-5,8,10,13,17,19,24H,6-7,9,11-12,14H2,1H3,(H,32,38)(H,33,39)/t17-,24+/m1/s1
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Achillion Pharmaceuticals, Inc.

US Patent


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

US Patent US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109544
PNG
(US9695205, 22)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(NC(=O)N3Cc4cncnc4C3)cc12 |r|
Show InChI InChI=1S/C31H28ClF2N7O4/c1-17(42)23-13-39(26-6-5-21(8-22(23)26)38-31(45)40-11-19-9-35-16-37-25(19)14-40)15-28(43)41-12-20(33)7-27(41)30(44)36-10-18-3-2-4-24(32)29(18)34/h2-6,8-9,13,16,20,27H,7,10-12,14-15H2,1H3,(H,36,44)(H,38,45)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM109940
PNG
(US9695205, 24)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C33H30ClF4N7O4/c34-23-7-2-1-5-20(23)21-6-3-8-24(28(21)36)41-31(48)26-13-18(35)15-44(26)27(46)16-45-25-10-9-19(14-22(25)29(42-45)30(39)47)40-32(49)43-12-4-11-33(37,38)17-43/h1-3,5-10,14,18,26H,4,11-13,15-17H2,(H2,39,47)(H,40,49)(H,41,48)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM110043
PNG
(US9695205, 29)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ncccc2Cl)c2ccc(NC(=O)N3CCCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C32H29ClF4N8O4/c33-21-5-2-10-39-27(21)19-4-1-6-22(26(19)35)41-30(48)24-12-17(34)14-44(24)25(46)15-45-23-8-7-18(13-20(23)28(42-45)29(38)47)40-31(49)43-11-3-9-32(36,37)16-43/h1-2,4-8,10,13,17,24H,3,9,11-12,14-16H2,(H2,38,47)(H,40,49)(H,41,48)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111048
PNG
(US9695205, 31)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(NC(=O)N3CCC(F)(F)CC3)cc12 |r|
Show InChI InChI=1S/C33H30ClF4N7O4/c34-23-6-2-1-4-20(23)21-5-3-7-24(28(21)36)41-31(48)26-14-18(35)16-44(26)27(46)17-45-25-9-8-19(15-22(25)29(42-45)30(39)47)40-32(49)43-12-10-33(37,38)11-13-43/h1-9,15,18,26H,10-14,16-17H2,(H2,39,47)(H,40,49)(H,41,48)/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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111053
PNG
(US9695205, 35)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(NC(=O)C3CCC(F)(F)C3)cc12 |r|
Show InChI InChI=1S/C35H31ClF4N4O4/c1-19(45)26-17-43(29-10-9-22(14-25(26)29)41-33(47)20-11-12-35(39,40)15-20)18-31(46)44-16-21(37)13-30(44)34(48)42-28-8-4-6-24(32(28)38)23-5-2-3-7-27(23)36/h2-10,14,17,20-21,30H,11-13,15-16,18H2,1H3,(H,41,47)(H,42,48)/t20?,21-,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111057
PNG
(US9695205, 39)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C(=O)N1CC2CCC1C2 |r|
Show InChI InChI=1S/C31H31ClF2N4O4/c1-17(39)24-15-36(26-8-6-19(10-23(24)26)31(42)37-13-18-5-7-22(37)9-18)16-28(40)38-14-21(33)11-27(38)30(41)35-12-20-3-2-4-25(32)29(20)34/h2-4,6,8,10,15,18,21-22,27H,5,7,9,11-14,16H2,1H3,(H,35,41)/t18?,21-,22?,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111064
PNG
(US9695205, 45)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C(=O)N[C@H]1CCNC1 |r|
Show InChI InChI=1S/C29H30ClF2N5O4/c1-16(38)22-14-36(24-9-17(5-6-21(22)24)28(40)35-20-7-8-33-12-20)15-26(39)37-13-19(31)10-25(37)29(41)34-11-18-3-2-4-23(30)27(18)32/h2-6,9,14,19-20,25,33H,7-8,10-13,15H2,1H3,(H,34,41)(H,35,40)/t19-,20+,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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111071
PNG
(US9695205, 49)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C(=O)NCC1CCNC1 |r,w:36.40|
Show InChI InChI=1S/C30H32ClF2N5O4/c1-17(39)23-15-37(25-9-19(5-6-22(23)25)29(41)35-12-18-7-8-34-11-18)16-27(40)38-14-21(32)10-26(38)30(42)36-13-20-3-2-4-24(31)28(20)33/h2-6,9,15,18,21,26,34H,7-8,10-14,16H2,1H3,(H,35,41)(H,36,42)/t18?,21-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/a7.525



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))		BDBM111073
PNG
(US9695205, 51)
Show SMILES COC(=O)C1CCN(C1)C(=O)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O |r,w:4.3|
Show InChI InChI=1S/C31H31ClF2N4O6/c1-17(39)23-15-37(25-10-18(6-7-22(23)25)30(42)36-9-8-20(13-36)31(43)44-2)16-27(40)38-14-21(33)11-26(38)29(41)35-12-19-4-3-5-24(32)28(19)34/h3-7,10,15,20-21,26H,8-9,11-14,16H2,1-2H3,(H,35,41)/t20?,21-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/a7.525



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 US9695205 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ30TH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%