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Patent code US9468661

Compile Data Set for Download or QSAR
Found 123 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))
BDBM254498
PNG
(US9468661, 109 | US9468661, 76)
Show SMILES CC1[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3cc(OCc4ncccn4)ccc23)C1(Cl)Cl
Show InChI InChI=1S/C27H28Cl2N6O4/c1-14-19(27(14,28)29)11-32-26(38)22-9-16-8-21(16)35(22)24(37)12-34-20-5-4-17(10-18(20)25(33-34)15(2)36)39-13-23-30-6-3-7-31-23/h3-7,10,14,16,19,21-22H,8-9,11-13H2,1-2H3,(H,32,38)/t14?,16-,19-,21-,22+/m1/s1
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Novartis AG

US Patent


Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


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More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254486
PNG
(US9468661, 64)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3cc(C)[nH]n3)ccc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C27H30Cl2N6O4/c1-13-6-17(32-31-13)12-39-18-4-5-21-19(9-18)25(15(3)36)33-34(21)11-24(37)35-22-7-16(22)8-23(35)26(38)30-14(2)20-10-27(20,28)29/h4-6,9,14,16,20,22-23H,7-8,10-12H2,1-3H3,(H,30,38)(H,31,32)/t14-,16-,20-,22-,23+/m1/s1
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Novartis AG

US Patent


Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254483
PNG
(US9468661, 61)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3ncn(C)n3)ccc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C26H29Cl2N7O4/c1-13(18-9-26(18,27)28)30-25(38)21-7-15-6-20(15)35(21)23(37)10-34-19-5-4-16(8-17(19)24(32-34)14(2)36)39-11-22-29-12-33(3)31-22/h4-5,8,12-13,15,18,20-21H,6-7,9-11H2,1-3H3,(H,30,38)/t13-,15-,18-,20-,21+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254475
PNG
(US9468661, 53)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3ncccn3)c(C)cc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C28H30Cl2N6O4/c1-14-7-21-18(10-23(14)40-13-24-31-5-4-6-32-24)26(16(3)37)34-35(21)12-25(38)36-20-8-17(20)9-22(36)27(39)33-15(2)19-11-28(19,29)30/h4-7,10,15,17,19-20,22H,8-9,11-13H2,1-3H3,(H,33,39)/t15-,17-,19-,20-,22+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254471
PNG
(US9468661, 49)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccc(Cl)cc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C21H22Cl3N5O3/c1-9(13-7-21(13,23)24)26-20(32)16-5-10-4-14(10)29(16)17(30)8-28-15-6-11(22)2-3-12(15)18(27-28)19(25)31/h2-3,6,9-10,13-14,16H,4-5,7-8H2,1H3,(H2,25,31)(H,26,32)/t9-,10-,13-,14-,16+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254488
PNG
(US9468661, 66)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3ccn(C)n3)ccc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C27H30Cl2N6O4/c1-14(20-11-27(20,28)29)30-26(38)23-9-16-8-22(16)35(23)24(37)12-34-21-5-4-18(10-19(21)25(32-34)15(2)36)39-13-17-6-7-33(3)31-17/h4-7,10,14,16,20,22-23H,8-9,11-13H2,1-3H3,(H,30,38)/t14-,16-,20-,22-,23+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254528
PNG
(US9468661, 106)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccc(OCc3nccs3)cc12
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-13(33)23-17-8-16(36-12-21-28-4-5-37-21)2-3-18(17)31(30-23)11-22(34)32-19-6-14(19)7-20(32)24(35)29-10-15-9-25(15,26)27/h2-5,8,14-15,19-20H,6-7,9-12H2,1H3,(H,29,35)/t14-,15-,19-,20+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254485
PNG
(US9468661, 63)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3cc(C)n(C)n3)ccc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C28H32Cl2N6O4/c1-14-7-18(32-34(14)4)13-40-19-5-6-22-20(10-19)26(16(3)37)33-35(22)12-25(38)36-23-8-17(23)9-24(36)27(39)31-15(2)21-11-28(21,29)30/h5-7,10,15,17,21,23-24H,8-9,11-13H2,1-4H3,(H,31,39)/t15-,17-,21-,23-,24+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254454
PNG
(US9468661, 32)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3ncccn3)ccc12)C1CC1(Cl)Cl
Show InChI InChI=1S/C27H28Cl2N6O4/c1-14(19-11-27(19,28)29)32-26(38)22-9-16-8-21(16)35(22)24(37)12-34-20-5-4-17(10-18(20)25(33-34)15(2)36)39-13-23-30-6-3-7-31-23/h3-7,10,14,16,19,21-22H,8-9,11-13H2,1-2H3,(H,32,38)/t14-,16-,19?,21-,22+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254497
PNG
(US9468661, 108 | US9468661, 75)
Show SMILES CC1[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3cc(OCc4ncccn4)ccc23)C1(Cl)Cl
Show InChI InChI=1S/C27H28Cl2N6O4/c1-14-19(27(14,28)29)11-32-26(38)22-9-16-8-21(16)35(22)24(37)12-34-20-5-4-17(10-18(20)25(33-34)15(2)36)39-13-23-30-6-3-7-31-23/h3-7,10,14,16,19,21-22H,8-9,11-13H2,1-2H3,(H,32,38)/t14?,16-,19+,21-,22+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254462
PNG
(US9468661, 40)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccc(OCc3nccs3)cc12
Show InChI InChI=1S/C24H24Cl2N6O4S/c25-24(26)8-13(24)9-29-23(35)18-6-12-5-17(12)32(18)20(33)10-31-16-2-1-14(36-11-19-28-3-4-37-19)7-15(16)21(30-31)22(27)34/h1-4,7,12-13,17-18H,5-6,8-11H2,(H2,27,34)(H,29,35)/t12-,13-,17-,18+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254478
PNG
(US9468661, 56)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccc(OCc3nccc(C)n3)cc12
Show InChI InChI=1S/C27H28Cl2N6O4/c1-14-5-6-30-23(32-14)13-39-18-3-4-20-19(9-18)25(15(2)36)33-34(20)12-24(37)35-21-7-16(21)8-22(35)26(38)31-11-17-10-27(17,28)29/h3-6,9,16-17,21-22H,7-8,10-13H2,1-2H3,(H,31,38)/t16-,17-,21-,22+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254459
PNG
(US9468661, 37)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C20H22Cl2N6O3/c1-9(12-6-20(12,21)22)25-19(31)14-5-10-4-13(10)28(14)16(29)8-27-15-7-24-3-2-11(15)17(26-27)18(23)30/h2-3,7,9-10,12-14H,4-6,8H2,1H3,(H2,23,30)(H,25,31)/t9-,10-,12-,13-,14+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254468
PNG
(US9468661, 46)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2ccccc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C22H24Cl2N4O3/c1-11(15-9-22(15,23)24)25-21(31)18-8-13-7-17(13)28(18)19(30)10-27-16-6-4-3-5-14(16)20(26-27)12(2)29/h3-6,11,13,15,17-18H,7-10H2,1-2H3,(H,25,31)/t11-,13-,15-,17-,18+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254496
PNG
(US9468661, 74 | US9468661, 78)
Show SMILES CC1[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc23)C1(Cl)Cl
Show InChI InChI=1S/C21H23Cl2N5O3/c1-10-13(21(10,22)23)8-25-20(31)16-7-11-6-15(11)28(16)17(29)9-27-14-5-3-2-4-12(14)18(26-27)19(24)30/h2-5,10-11,13,15-16H,6-9H2,1H3,(H2,24,30)(H,25,31)/t10?,11-,13-,15-,16+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254527
PNG
(US9468661, 105)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccc(OCc3cscn3)cc12
Show InChI InChI=1S/C25H25Cl2N5O4S/c1-13(33)23-18-6-17(36-10-16-11-37-12-29-16)2-3-19(18)31(30-23)9-22(34)32-20-4-14(20)5-21(32)24(35)28-8-15-7-25(15,26)27/h2-3,6,11-12,14-15,20-21H,4-5,7-10H2,1H3,(H,28,35)/t14-,15-,20-,21+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254481
PNG
(US9468661, 59)
Show SMILES CO[C@@H]1[C@@H](F)CN([C@@H]1C(=O)N[C@H](C)[C@H]1CC1(Cl)Cl)C(=O)Cn1nc(C(N)=O)c2ccccc12
Show InChI InChI=1S/C21H24Cl2FN5O4/c1-10(12-7-21(12,22)23)26-20(32)17-18(33-2)13(24)8-28(17)15(30)9-29-14-6-4-3-5-11(14)16(27-29)19(25)31/h3-6,10,12-13,17-18H,7-9H2,1-2H3,(H2,25,31)(H,26,32)/t10-,12-,13+,17+,18-/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254458
PNG
(US9468661, 121 | US9468661, 36)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C21H23Cl2N5O3/c1-10(13-8-21(13,22)23)25-20(31)16-7-11-6-15(11)28(16)17(29)9-27-14-5-3-2-4-12(14)18(26-27)19(24)30/h2-5,10-11,13,15-16H,6-9H2,1H3,(H2,24,30)(H,25,31)/t10-,11-,13-,15-,16+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254452
PNG
(US9468661, 30)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Nc1cn(C(N)=O)c2ccccc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C21H23Cl2N5O3/c1-10(13-8-21(13,22)23)25-18(29)17-7-11-6-16(11)28(17)20(31)26-14-9-27(19(24)30)15-5-3-2-4-12(14)15/h2-5,9-11,13,16-17H,6-8H2,1H3,(H2,24,30)(H,25,29)(H,26,31)/t10-,11-,13-,16-,17+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254516
PNG
(US9468661, 94)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccc(OCc3ncccn3)cc12
Show InChI InChI=1S/C26H26Cl2N6O4/c1-14(35)24-18-9-17(38-13-22-29-5-2-6-30-22)3-4-19(18)33(32-24)12-23(36)34-20-7-15(20)8-21(34)25(37)31-11-16-10-26(16,27)28/h2-6,9,15-16,20-21H,7-8,10-13H2,1H3,(H,31,37)/t15-,16-,20-,21+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254526
PNG
(US9468661, 104)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2C(C)(C)C2(Cl)Cl)c2ccc(OCc3ncccn3)cc12
Show InChI InChI=1S/C28H30Cl2N6O4/c1-15(37)25-18-11-17(40-14-23-31-7-4-8-32-23)5-6-19(18)35(34-25)13-24(38)36-20-9-16(20)10-21(36)26(39)33-12-22-27(2,3)28(22,29)30/h4-8,11,16,20-22H,9-10,12-14H2,1-3H3,(H,33,39)/t16-,20-,21+,22+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254479
PNG
(US9468661, 57)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@@]2(CO)C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C22H25Cl2N5O4/c1-11(13-6-22(13,23)24)26-20(33)15-7-21(10-30)8-16(21)29(15)17(31)9-28-14-5-3-2-4-12(14)18(27-28)19(25)32/h2-5,11,13,15-16,30H,6-10H2,1H3,(H2,25,32)(H,26,33)/t11-,13-,15+,16-,21+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254515
PNG
(US9468661, 93)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@@H]2CC2(Cl)Cl)c2ccc(OCc3ncccn3)cc12
Show InChI InChI=1S/C26H26Cl2N6O4/c1-14(35)24-18-9-17(38-13-22-29-5-2-6-30-22)3-4-19(18)33(32-24)12-23(36)34-20-7-15(20)8-21(34)25(37)31-11-16-10-26(16,27)28/h2-6,9,15-16,20-21H,7-8,10-13H2,1H3,(H,31,37)/t15-,16+,20-,21+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254449
PNG
(US9468661, 27)
Show SMILES CC1(C)[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Nc2cn(C(N)=O)c3ccccc23)C1(Cl)Cl
Show InChI InChI=1S/C22H25Cl2N5O3/c1-21(2)17(22(21,23)24)9-26-18(30)16-8-11-7-15(11)29(16)20(32)27-13-10-28(19(25)31)14-6-4-3-5-12(13)14/h3-6,10-11,15-17H,7-9H2,1-2H3,(H2,25,31)(H,26,30)(H,27,32)/t11-,15-,16+,17+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254487
PNG
(US9468661, 65)
Show SMILES CC1CC(CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3cc(OCc4ncccn4)ccc23)C1
Show InChI InChI=1S/C28H32N6O4/c1-16-8-18(9-16)13-31-28(37)24-11-19-10-23(19)34(24)26(36)14-33-22-5-4-20(12-21(22)27(32-33)17(2)35)38-15-25-29-6-3-7-30-25/h3-7,12,16,18-19,23-24H,8-11,13-15H2,1-2H3,(H,31,37)/t16?,18?,19-,23-,24+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254501
PNG
(US9468661, 79 | US9468661, 81)
Show SMILES CC1[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc23)C1(Cl)Cl
Show InChI InChI=1S/C20H22Cl2N6O3/c1-9-12(20(9,21)22)6-25-19(31)14-5-10-4-13(10)28(14)16(29)8-27-15-7-24-3-2-11(15)17(26-27)18(23)30/h2-3,7,9-10,12-14H,4-6,8H2,1H3,(H2,23,30)(H,25,31)/t9?,10-,12+,13-,14+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254514
PNG
(US9468661, 92)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2cnccc12
Show InChI InChI=1S/C20H21Cl2N5O3/c1-10(28)18-13-2-3-23-8-16(13)26(25-18)9-17(29)27-14-4-11(14)5-15(27)19(30)24-7-12-6-20(12,21)22/h2-3,8,11-12,14-15H,4-7,9H2,1H3,(H,24,30)/t11-,12-,14-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254458
PNG
(US9468661, 121 | US9468661, 36)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C21H23Cl2N5O3/c1-10(13-8-21(13,22)23)25-20(31)16-7-11-6-15(11)28(16)17(29)9-27-14-5-3-2-4-12(14)18(26-27)19(24)30/h2-5,10-11,13,15-16H,6-9H2,1H3,(H2,24,30)(H,25,31)/t10-,11-,13-,15-,16+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254470
PNG
(US9468661, 48)
Show SMILES CO[C@@H]1[C@@H](F)CN([C@@H]1C(=O)NC[C@H]1CC1(Cl)Cl)C(=O)Cn1nc(C(N)=O)c2ccc(C)cc12
Show InChI InChI=1S/C21H24Cl2FN5O4/c1-10-3-4-12-14(5-10)29(27-16(12)19(25)31)9-15(30)28-8-13(24)18(33-2)17(28)20(32)26-7-11-6-21(11,22)23/h3-5,11,13,17-18H,6-9H2,1-2H3,(H2,25,31)(H,26,32)/t11-,13+,17+,18-/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254461
PNG
(US9468661, 39)
Show SMILES CCc1cc2c(nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)N[C@H](C)[C@H]3CC3(Cl)Cl)c2cn1)C(N)=O
Show InChI InChI=1S/C22H26Cl2N6O3/c1-3-12-6-13-17(8-26-12)29(28-19(13)20(25)32)9-18(31)30-15-4-11(15)5-16(30)21(33)27-10(2)14-7-22(14,23)24/h6,8,10-11,14-16H,3-5,7,9H2,1-2H3,(H2,25,32)(H,27,33)/t10-,11-,14-,15-,16+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254497
PNG
(US9468661, 108 | US9468661, 75)
Show SMILES CC1[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3cc(OCc4ncccn4)ccc23)C1(Cl)Cl
Show InChI InChI=1S/C27H28Cl2N6O4/c1-14-19(27(14,28)29)11-32-26(38)22-9-16-8-21(16)35(22)24(37)12-34-20-5-4-17(10-18(20)25(33-34)15(2)36)39-13-23-30-6-3-7-31-23/h3-7,10,14,16,19,21-22H,8-9,11-13H2,1-2H3,(H,32,38)/t14?,16-,19+,21-,22+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254453
PNG
(US9468661, 31)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccccc12
Show InChI InChI=1S/C20H21Cl2N5O3/c21-20(22)7-11(20)8-24-19(30)15-6-10-5-14(10)27(15)16(28)9-26-13-4-2-1-3-12(13)17(25-26)18(23)29/h1-4,10-11,14-15H,5-9H2,(H2,23,29)(H,24,30)/t10-,11-,14-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254521
PNG
(US9468661, 99)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccc(OCc3ncccc3F)cc12
Show InChI InChI=1S/C27H26Cl2FN5O4/c1-14(36)25-18-9-17(39-13-20-19(30)3-2-6-31-20)4-5-21(18)34(33-25)12-24(37)35-22-7-15(22)8-23(35)26(38)32-11-16-10-27(16,28)29/h2-6,9,15-16,22-23H,7-8,10-13H2,1H3,(H,32,38)/t15-,16-,22-,23+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254469
PNG
(US9468661, 47)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2ccncc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C21H23Cl2N5O3/c1-10(14-7-21(14,22)23)25-20(31)16-6-12-5-15(12)28(16)18(30)9-27-17-8-24-4-3-13(17)19(26-27)11(2)29/h3-4,8,10,12,14-16H,5-7,9H2,1-2H3,(H,25,31)/t10-,12-,14-,15-,16+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254495
PNG
(US9468661, 73 | US9468661, 77)
Show SMILES CC1[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc23)C1(Cl)Cl
Show InChI InChI=1S/C21H23Cl2N5O3/c1-10-13(21(10,22)23)8-25-20(31)16-7-11-6-15(11)28(16)17(29)9-27-14-5-3-2-4-12(14)18(26-27)19(24)30/h2-5,10-11,13,15-16H,6-9H2,1H3,(H2,24,30)(H,25,31)/t10?,11-,13+,15-,16+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254494
PNG
(US9468661, 72)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2cnccc12
Show InChI InChI=1S/C19H20Cl2N6O3/c20-19(21)5-10(19)6-24-18(30)13-4-9-3-12(9)27(13)15(28)8-26-14-7-23-2-1-11(14)16(25-26)17(22)29/h1-2,7,9-10,12-13H,3-6,8H2,(H2,22,29)(H,24,30)/t9-,10-,12-,13+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254480
PNG
(US9468661, 58)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2ccccc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C20H22Cl2FN5O3/c1-10(13-7-20(13,21)22)25-19(31)15-6-11(23)8-27(15)16(29)9-28-14-5-3-2-4-12(14)17(26-28)18(24)30/h2-5,10-11,13,15H,6-9H2,1H3,(H2,24,30)(H,25,31)/t10-,11-,13-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254536
PNG
(US9468661, 114)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H20Cl3N5O3/c21-11-1-2-12-14(5-11)27(26-17(12)18(24)30)8-16(29)28-13-3-9(13)4-15(28)19(31)25-7-10-6-20(10,22)23/h1-2,5,9-10,13,15H,3-4,6-8H2,(H2,24,30)(H,25,31)/t9-,10-,13-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254460
PNG
(US9468661, 38)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2cc(C)ncc12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C21H24Cl2N6O3/c1-9-3-12-16(7-25-9)28(27-18(12)19(24)31)8-17(30)29-14-4-11(14)5-15(29)20(32)26-10(2)13-6-21(13,22)23/h3,7,10-11,13-15H,4-6,8H2,1-2H3,(H2,24,31)(H,26,32)/t10-,11-,13-,14-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254466
PNG
(US9468661, 44)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccnc(C)c12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C21H24Cl2N6O3/c1-9(13-7-21(13,22)23)26-20(32)15-6-11-5-14(11)29(15)16(30)8-28-18-10(2)25-4-3-12(18)17(27-28)19(24)31/h3-4,9,11,13-15H,5-8H2,1-2H3,(H2,24,31)(H,26,32)/t9-,11-,13-,14-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254532
PNG
(US9468661, 110)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccc(OCc3ncccn3)cc12
Show InChI InChI=1S/C25H25Cl2N7O4/c26-25(27)9-14(25)10-31-24(37)19-7-13-6-18(13)34(19)21(35)11-33-17-3-2-15(8-16(17)22(32-33)23(28)36)38-12-20-29-4-1-5-30-20/h1-5,8,13-14,18-19H,6-7,9-12H2,(H2,28,36)(H,31,37)/t13-,14-,18-,19+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254467
PNG
(US9468661, 45)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2cc(C)nc(C)c12)[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C22H26Cl2N6O3/c1-9-4-13-18(20(25)32)28-29(19(13)11(3)26-9)8-17(31)30-15-5-12(15)6-16(30)21(33)27-10(2)14-7-22(14,23)24/h4,10,12,14-16H,5-8H2,1-3H3,(H2,25,32)(H,27,33)/t10-,12-,14-,15-,16+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254513
PNG
(US9468661, 91)
Show SMILES C[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc23)C1
Show InChI InChI=1S/C23H29N5O3/c1-13-6-7-14(8-13)11-25-23(31)19-10-15-9-18(15)28(19)20(29)12-27-17-5-3-2-4-16(17)21(26-27)22(24)30/h2-5,13-15,18-19H,6-12H2,1H3,(H2,24,30)(H,25,31)/t13-,14+,15-,18-,19+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254451
PNG
(US9468661, 29)
Show SMILES CC1CCCC(CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Nc2cn(C(N)=O)c3ccccc23)C1
Show InChI InChI=1S/C24H31N5O3/c1-14-5-4-6-15(9-14)12-26-22(30)21-11-16-10-20(16)29(21)24(32)27-18-13-28(23(25)31)19-8-3-2-7-17(18)19/h2-3,7-8,13-16,20-21H,4-6,9-12H2,1H3,(H2,25,31)(H,26,30)(H,27,32)/t14?,15?,16-,20-,21+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254498
PNG
(US9468661, 109 | US9468661, 76)
Show SMILES CC1[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3cc(OCc4ncccn4)ccc23)C1(Cl)Cl
Show InChI InChI=1S/C27H28Cl2N6O4/c1-14-19(27(14,28)29)11-32-26(38)22-9-16-8-21(16)35(22)24(37)12-34-20-5-4-17(10-18(20)25(33-34)15(2)36)39-13-23-30-6-3-7-31-23/h3-7,10,14,16,19,21-22H,8-9,11-13H2,1-2H3,(H,32,38)/t14?,16-,19-,21-,22+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254463
PNG
(US9468661, 41)
Show SMILES CO[C@@H]1[C@@H](F)CN([C@@H]1C(=O)NC[C@H]1CC1(Cl)Cl)C(=O)Cn1nc(C(N)=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H21Cl3FN5O4/c1-33-17-12(24)7-28(16(17)19(32)26-6-9-5-20(9,22)23)14(30)8-29-13-4-10(21)2-3-11(13)15(27-29)18(25)31/h2-4,9,12,16-17H,5-8H2,1H3,(H2,25,31)(H,26,32)/t9-,12+,16+,17-/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254529
PNG
(US9468661, 107)
Show SMILES CC1(C)[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc23)C1(Cl)Cl
Show InChI InChI=1S/C22H25Cl2N5O3/c1-21(2)16(22(21,23)24)9-26-20(32)15-8-11-7-14(11)29(15)17(30)10-28-13-6-4-3-5-12(13)18(27-28)19(25)31/h3-6,11,14-16H,7-10H2,1-2H3,(H2,25,31)(H,26,32)/t11-,14-,15+,16+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254512
PNG
(US9468661, 90)
Show SMILES CC1CCC(CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc23)C1
Show InChI InChI=1S/C23H29N5O3/c1-13-6-7-14(8-13)11-25-23(31)19-10-15-9-18(15)28(19)20(29)12-27-17-5-3-2-4-16(17)21(26-27)22(24)30/h2-5,13-15,18-19H,6-12H2,1H3,(H2,24,30)(H,25,31)/t13?,14?,15-,18-,19+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254491
PNG
(US9468661, 69)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ncccc12
Show InChI InChI=1S/C20H21Cl2N5O3/c1-10(28)17-13-3-2-4-23-18(13)26(25-17)9-16(29)27-14-5-11(14)6-15(27)19(30)24-8-12-7-20(12,21)22/h2-4,11-12,14-15H,5-9H2,1H3,(H,24,30)/t11-,12-,14-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254474
PNG
(US9468661, 52)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(CO)C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccccc12
Show InChI InChI=1S/C21H23Cl2N5O4/c22-21(23)5-11(21)8-25-19(32)14-6-20(10-29)7-15(20)28(14)16(30)9-27-13-4-2-1-3-12(13)17(26-27)18(24)31/h1-4,11,14-15,29H,5-10H2,(H2,24,31)(H,25,32)/t11-,14+,15-,20+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254544
PNG
(US9468661, 122)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccc(O)cc12
Show InChI InChI=1S/C21H22Cl2N4O4/c1-10(28)19-14-6-13(29)2-3-15(14)26(25-19)9-18(30)27-16-4-11(16)5-17(27)20(31)24-8-12-7-21(12,22)23/h2-3,6,11-12,16-17,29H,4-5,7-9H2,1H3,(H,24,31)/t11-,12-,16-,17+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254496
PNG
(US9468661, 74 | US9468661, 78)
Show SMILES CC1[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc23)C1(Cl)Cl
Show InChI InChI=1S/C21H23Cl2N5O3/c1-10-13(21(10,22)23)8-25-20(31)16-7-11-6-15(11)28(16)17(29)9-27-14-5-3-2-4-12(14)18(26-27)19(24)30/h2-5,10-11,13,15-16H,6-9H2,1H3,(H2,24,30)(H,25,31)/t10?,11-,13-,15-,16+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254476
PNG
(US9468661, 54)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc12)C1CCCCC1
Show InChI InChI=1S/C24H31N5O3/c1-14(15-7-3-2-4-8-15)26-24(32)20-12-16-11-19(16)29(20)21(30)13-28-18-10-6-5-9-17(18)22(27-28)23(25)31/h5-6,9-10,14-16,19-20H,2-4,7-8,11-13H2,1H3,(H2,25,31)(H,26,32)/t14-,16-,19-,20+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254542
PNG
(US9468661, 120)
Show SMILES C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3ccncc23)C1
Show InChI InChI=1S/C24H31N5O3/c1-14-4-3-5-16(8-14)11-26-24(32)20-10-17-9-19(17)29(20)22(31)13-28-21-12-25-7-6-18(21)23(27-28)15(2)30/h6-7,12,14,16-17,19-20H,3-5,8-11,13H2,1-2H3,(H,26,32)/t14-,16+,17-,19-,20+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254525
PNG
(US9468661, 103)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@@H]2C(C)(C)C2(Cl)Cl)c2ccc(OCc3ncccn3)cc12
Show InChI InChI=1S/C28H30Cl2N6O4/c1-15(37)25-18-11-17(40-14-23-31-7-4-8-32-23)5-6-19(18)35(34-25)13-24(38)36-20-9-16(20)10-21(36)26(39)33-12-22-27(2,3)28(22,29)30/h4-8,11,16,20-22H,9-10,12-14H2,1-3H3,(H,33,39)/t16-,20-,21+,22-/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254465
PNG
(US9468661, 43)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccc(CCc3ncccn3)cc12
Show InChI InChI=1S/C27H28Cl2N6O3/c1-15(36)25-19-9-16(4-6-23-30-7-2-8-31-23)3-5-20(19)34(33-25)14-24(37)35-21-10-17(21)11-22(35)26(38)32-13-18-12-27(18,28)29/h2-3,5,7-9,17-18,21-22H,4,6,10-14H2,1H3,(H,32,38)/t17-,18-,21-,22+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254428
PNG
(US9468661, 6)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2ccncc12)C1CCCCC1
Show InChI InChI=1S/C24H31N5O3/c1-14(16-6-4-3-5-7-16)26-24(32)20-11-17-10-19(17)29(20)22(31)13-28-21-12-25-9-8-18(21)23(27-28)15(2)30/h8-9,12,14,16-17,19-20H,3-7,10-11,13H2,1-2H3,(H,26,32)/t14-,17-,19-,20+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254511
PNG
(US9468661, 89)
Show SMILES C[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc23)C1
Show InChI InChI=1S/C23H29N5O3/c1-13-6-7-14(8-13)11-25-23(31)19-10-15-9-18(15)28(19)20(29)12-27-17-5-3-2-4-16(17)21(26-27)22(24)30/h2-5,13-15,18-19H,6-12H2,1H3,(H2,24,30)(H,25,31)/t13-,14+,15+,18+,19-/m0/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254535
PNG
(US9468661, 113)
Show SMILES Cc1ccc2c(nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NC[C@H]3CC3(Cl)Cl)c2c1)C(N)=O
Show InChI InChI=1S/C21H23Cl2N5O3/c1-10-2-3-13-15(4-10)27(26-18(13)19(24)30)9-17(29)28-14-5-11(14)6-16(28)20(31)25-8-12-7-21(12,22)23/h2-4,11-12,14,16H,5-9H2,1H3,(H2,24,30)(H,25,31)/t11-,12-,14-,16+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254450
PNG
(US9468661, 28)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Nc1cn(C(N)=O)c2ccccc12)C1CCCCC1
Show InChI InChI=1S/C24H31N5O3/c1-14(15-7-3-2-4-8-15)26-22(30)21-12-16-11-20(16)29(21)24(32)27-18-13-28(23(25)31)19-10-6-5-9-17(18)19/h5-6,9-10,13-16,20-21H,2-4,7-8,11-12H2,1H3,(H2,25,31)(H,26,30)(H,27,32)/t14-,16-,20-,21+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254502
PNG
(US9468661, 80 | US9468661, 82)
Show SMILES CC1[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc23)C1(Cl)Cl
Show InChI InChI=1S/C20H22Cl2N6O3/c1-9-12(20(9,21)22)6-25-19(31)14-5-10-4-13(10)28(14)16(29)8-27-15-7-24-3-2-11(15)17(26-27)18(23)30/h2-3,7,9-10,12-14H,4-6,8H2,1H3,(H2,23,30)(H,25,31)/t9?,10-,12-,13-,14+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254492
PNG
(US9468661, 70)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@@H]2CC2(Cl)Cl)c2ccccc12
Show InChI InChI=1S/C20H21Cl2N5O3/c21-20(22)7-11(20)8-24-19(30)15-6-10-5-14(10)27(15)16(28)9-26-13-4-2-1-3-12(13)17(25-26)18(23)29/h1-4,10-11,14-15H,5-9H2,(H2,23,29)(H,24,30)/t10-,11+,14-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254502
PNG
(US9468661, 80 | US9468661, 82)
Show SMILES CC1[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc23)C1(Cl)Cl
Show InChI InChI=1S/C20H22Cl2N6O3/c1-9-12(20(9,21)22)6-25-19(31)14-5-10-4-13(10)28(14)16(29)8-27-15-7-24-3-2-11(15)17(26-27)18(23)30/h2-3,7,9-10,12-14H,4-6,8H2,1H3,(H2,23,30)(H,25,31)/t9?,10-,12-,13-,14+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254495
PNG
(US9468661, 73 | US9468661, 77)
Show SMILES CC1[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc23)C1(Cl)Cl
Show InChI InChI=1S/C21H23Cl2N5O3/c1-10-13(21(10,22)23)8-25-20(31)16-7-11-6-15(11)28(16)17(29)9-27-14-5-3-2-4-12(14)18(26-27)19(24)30/h2-5,10-11,13,15-16H,6-9H2,1H3,(H2,24,30)(H,25,31)/t10?,11-,13+,15-,16+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254464
PNG
(US9468661, 42)
Show SMILES CO[C@@H]1[C@@H](F)CN([C@@H]1C(=O)NC[C@H]1CC1(Cl)Cl)C(=O)Cn1nc(C(N)=O)c2ccccc12
Show InChI InChI=1S/C20H22Cl2FN5O4/c1-32-17-12(23)8-27(16(17)19(31)25-7-10-6-20(10,21)22)14(29)9-28-13-5-3-2-4-11(13)15(26-28)18(24)30/h2-5,10,12,16-17H,6-9H2,1H3,(H2,24,30)(H,25,31)/t10-,12+,16+,17-/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254524
PNG
(US9468661, 102)
Show SMILES CC1(C)[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc23)C1(Cl)Cl
Show InChI InChI=1S/C21H24Cl2N6O3/c1-20(2)15(21(20,22)23)8-26-19(32)13-6-10-5-12(10)29(13)16(30)9-28-14-7-25-4-3-11(14)17(27-28)18(24)31/h3-4,7,10,12-13,15H,5-6,8-9H2,1-2H3,(H2,24,31)(H,26,32)/t10-,12-,13+,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254443
PNG
(US9468661, 21)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CCCCC2(C)C)c2cnccc12
Show InChI InChI=1S/C25H33N5O3/c1-15(31)23-18-7-9-26-13-21(18)29(28-23)14-22(32)30-19-10-16(19)11-20(30)24(33)27-12-17-6-4-5-8-25(17,2)3/h7,9,13,16-17,19-20H,4-6,8,10-12,14H2,1-3H3,(H,27,33)/t16-,17?,19-,20+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254482
PNG
(US9468661, 60)
Show SMILES C[C@@]1(F)C[C@H](N(C1)C(=O)Cn1nc(C(N)=O)c2ccccc12)C(=O)NC[C@H]1CC1(Cl)Cl
Show InChI InChI=1S/C20H22Cl2FN5O3/c1-19(23)7-14(18(31)25-8-11-6-20(11,21)22)27(10-19)15(29)9-28-13-5-3-2-4-12(13)16(26-28)17(24)30/h2-5,11,14H,6-10H2,1H3,(H2,24,30)(H,25,31)/t11-,14+,19-/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254493
PNG
(US9468661, 71)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@@H]2CC2(Cl)Cl)c2cnccc12
Show InChI InChI=1S/C19H20Cl2N6O3/c20-19(21)5-10(19)6-24-18(30)13-4-9-3-12(9)27(13)15(28)8-26-14-7-23-2-1-11(14)16(25-26)17(22)29/h1-2,7,9-10,12-13H,3-6,8H2,(H2,22,29)(H,24,30)/t9-,10+,12-,13+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254506
PNG
(US9468661, 84)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H]3C[C@H]3[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccccc12
Show InChI InChI=1S/C20H21Cl2N5O3/c21-20(22)6-11(20)7-24-19(30)17-13-5-10(13)8-26(17)15(28)9-27-14-4-2-1-3-12(14)16(25-27)18(23)29/h1-4,10-11,13,17H,5-9H2,(H2,23,29)(H,24,30)/t10-,11-,13-,17+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254477
PNG
(US9468661, 55)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12)C1CCCCC1
Show InChI InChI=1S/C23H30N6O3/c1-13(14-5-3-2-4-6-14)26-23(32)18-10-15-9-17(15)29(18)20(30)12-28-19-11-25-8-7-16(19)21(27-28)22(24)31/h7-8,11,13-15,17-18H,2-6,9-10,12H2,1H3,(H2,24,31)(H,26,32)/t13-,15-,17-,18+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254522
PNG
(US9468661, 100)
Show SMILES CC(Oc1ccc2n(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NC[C@H]3CC3(Cl)Cl)nc(C(C)=O)c2c1)c1ncccn1
Show InChI InChI=1S/C27H28Cl2N6O4/c1-14(36)24-19-10-18(39-15(2)25-30-6-3-7-31-25)4-5-20(19)34(33-24)13-23(37)35-21-8-16(21)9-22(35)26(38)32-12-17-11-27(17,28)29/h3-7,10,15-17,21-22H,8-9,11-13H2,1-2H3,(H,32,38)/t15?,16-,17-,21-,22+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254540
PNG
(US9468661, 118)
Show SMILES C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc23)C1
Show InChI InChI=1S/C23H30N6O3/c1-13-3-2-4-14(7-13)10-26-23(32)18-9-15-8-17(15)29(18)20(30)12-28-19-11-25-6-5-16(19)21(27-28)22(24)31/h5-6,11,13-15,17-18H,2-4,7-10,12H2,1H3,(H2,24,31)(H,26,32)/t13-,14+,15-,17-,18+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254484
PNG
(US9468661, 62)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CC(F)(F)C2)c2ccc(OCc3ncccn3)cc12
Show InChI InChI=1S/C27H28F2N6O4/c1-15(36)25-19-9-18(39-14-23-30-5-2-6-31-23)3-4-20(19)34(33-25)13-24(37)35-21-7-17(21)8-22(35)26(38)32-12-16-10-27(28,29)11-16/h2-6,9,16-17,21-22H,7-8,10-14H2,1H3,(H,32,38)/t17-,21-,22+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254433
PNG
(US9468661, 11)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CC2(Cl)Cl)c2ncccc12
Show InChI InChI=1S/C20H21Cl2N5O3/c1-10(28)17-13-3-2-4-23-18(13)26(25-17)9-16(29)27-14-5-11(14)6-15(27)19(30)24-8-12-7-20(12,21)22/h2-4,11-12,14-15H,5-9H2,1H3,(H,24,30)/t11-,12?,14-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254438
PNG
(US9468661, 16)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CCCCC2F)c2cnccc12
Show InChI InChI=1S/C23H28FN5O3/c1-13(30)22-16-6-7-25-11-20(16)28(27-22)12-21(31)29-18-8-15(18)9-19(29)23(32)26-10-14-4-2-3-5-17(14)24/h6-7,11,14-15,17-19H,2-5,8-10,12H2,1H3,(H,26,32)/t14?,15-,17?,18-,19+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254490
PNG
(US9468661, 68)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@@H]2CC2(Cl)Cl)c2ncccc12
Show InChI InChI=1S/C20H21Cl2N5O3/c1-10(28)17-13-3-2-4-23-18(13)26(25-17)9-16(29)27-14-5-11(14)6-15(27)19(30)24-8-12-7-20(12,21)22/h2-4,11-12,14-15H,5-9H2,1H3,(H,24,30)/t11-,12+,14-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254541
PNG
(US9468661, 119)
Show SMILES CC1CCCC(CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3ccncc23)C1
Show InChI InChI=1S/C24H31N5O3/c1-14-4-3-5-16(8-14)11-26-24(32)20-10-17-9-19(17)29(20)22(31)13-28-21-12-25-7-6-18(21)23(27-28)15(2)30/h6-7,12,14,16-17,19-20H,3-5,8-11,13H2,1-2H3,(H,26,32)/t14?,16?,17-,19-,20+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254534
PNG
(US9468661, 112)
Show SMILES Cc1nccc2c(nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NC[C@H]3CC3(Cl)Cl)c12)C(N)=O
Show InChI InChI=1S/C20H22Cl2N6O3/c1-9-17-12(2-3-24-9)16(18(23)30)26-27(17)8-15(29)28-13-4-10(13)5-14(28)19(31)25-7-11-6-20(11,21)22/h2-3,10-11,13-14H,4-8H2,1H3,(H2,23,30)(H,25,31)/t10-,11-,13-,14+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254533
PNG
(US9468661, 111)
Show SMILES Cc1cc2c(nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NC[C@H]3CC3(Cl)Cl)c2c(C)n1)C(N)=O
Show InChI InChI=1S/C21H24Cl2N6O3/c1-9-3-13-17(19(24)31)27-28(18(13)10(2)26-9)8-16(30)29-14-4-11(14)5-15(29)20(32)25-7-12-6-21(12,22)23/h3,11-12,14-15H,4-8H2,1-2H3,(H2,24,31)(H,25,32)/t11-,12-,14-,15+/m1/s1
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Novartis AG

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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254519
PNG
(US9468661, 97)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H20Cl3N5O3/c21-11-1-2-13-12(5-11)17(18(24)30)26-27(13)8-16(29)28-14-3-9(14)4-15(28)19(31)25-7-10-6-20(10,22)23/h1-2,5,9-10,14-15H,3-4,6-8H2,(H2,24,30)(H,25,31)/t9-,10-,14-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254501
PNG
(US9468661, 79 | US9468661, 81)
Show SMILES CC1[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc23)C1(Cl)Cl
Show InChI InChI=1S/C20H22Cl2N6O3/c1-9-12(20(9,21)22)6-25-19(31)14-5-10-4-13(10)28(14)16(29)8-27-15-7-24-3-2-11(15)17(26-27)18(23)30/h2-3,7,9-10,12-14H,4-6,8H2,1H3,(H2,23,30)(H,25,31)/t9?,10-,12+,13-,14+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254442
PNG
(US9468661, 20)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@@H]2C(=O)NCC2CCCC2(C)C)c2cnccc12
Show InChI InChI=1S/C24H31N5O3/c1-14(30)22-17-6-8-25-12-20(17)28(27-22)13-21(31)29-18-9-15(18)10-19(29)23(32)26-11-16-5-4-7-24(16,2)3/h6,8,12,15-16,18-19H,4-5,7,9-11,13H2,1-3H3,(H,26,32)/t15-,16?,18-,19-/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254473
PNG
(US9468661, 51)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@@H](CO)C2CC2(Cl)Cl)c2ccccc12
Show InChI InChI=1S/C21H23Cl2N5O4/c22-21(23)7-12(21)13(9-29)25-20(32)16-6-10-5-15(10)28(16)17(30)8-27-14-4-2-1-3-11(14)18(26-27)19(24)31/h1-4,10,12-13,15-16,29H,5-9H2,(H2,24,31)(H,25,32)/t10-,12?,13+,15-,16+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254520
PNG
(US9468661, 98)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccc(F)cc12
Show InChI InChI=1S/C20H20Cl2FN5O3/c21-20(22)6-10(20)7-25-19(31)15-4-9-3-14(9)28(15)16(29)8-27-13-2-1-11(23)5-12(13)17(26-27)18(24)30/h1-2,5,9-10,14-15H,3-4,6-8H2,(H2,24,30)(H,25,31)/t9-,10-,14-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254447
PNG
(US9468661, 25)
Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CCCCC2)c2ccccc12
Show InChI InChI=1S/C23H29N5O3/c24-22(30)27-13-17(16-8-4-5-9-18(16)27)26-23(31)28-19-10-15(19)11-20(28)21(29)25-12-14-6-2-1-3-7-14/h4-5,8-9,13-15,19-20H,1-3,6-7,10-12H2,(H2,24,30)(H,25,29)(H,26,31)/t15-,19-,20+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254429
PNG
(US9468661, 7)
Show SMILES CC1CC(CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3ccncc23)C1
Show InChI InChI=1S/C22H27N5O3/c1-12-5-14(6-12)9-24-22(30)18-8-15-7-17(15)27(18)20(29)11-26-19-10-23-4-3-16(19)21(25-26)13(2)28/h3-4,10,12,14-15,17-18H,5-9,11H2,1-2H3,(H,24,30)/t12?,14?,15-,17-,18+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254523
PNG
(US9468661, 101)
Show SMILES CC1(C)[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc23)C1(Cl)Cl
Show InChI InChI=1S/C21H24Cl2N6O3/c1-20(2)15(21(20,22)23)8-26-19(32)13-6-10-5-12(10)29(13)16(30)9-28-14-7-25-4-3-11(14)17(27-28)18(24)31/h3-4,7,10,12-13,15H,5-6,8-9H2,1-2H3,(H2,24,31)(H,26,32)/t10-,12-,13+,15-/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254455
PNG
(US9468661, 33)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3ncccn3)ccc12)C1CC1(Cl)Cl
Show InChI InChI=1S/C27H28Cl2N6O4/c1-14(19-11-27(19,28)29)32-26(38)22-9-16-8-21(16)35(22)24(37)12-34-20-5-4-17(10-18(20)25(33-34)15(2)36)39-13-23-30-6-3-7-31-23/h3-7,10,14,16,19,21-22H,8-9,11-13H2,1-2H3,(H,32,38)/t14-,16+,19?,21+,22-/m0/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254448
PNG
(US9468661, 26)
Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CCC=CC2)c2ccccc12
Show InChI InChI=1S/C23H27N5O3/c24-22(30)27-13-17(16-8-4-5-9-18(16)27)26-23(31)28-19-10-15(19)11-20(28)21(29)25-12-14-6-2-1-3-7-14/h1-2,4-5,8-9,13-15,19-20H,3,6-7,10-12H2,(H2,24,30)(H,25,29)(H,26,31)/t14?,15-,19-,20+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254539
PNG
(US9468661, 117)
Show SMILES C[C@H]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc23)C1
Show InChI InChI=1S/C23H30N6O3/c1-13-3-2-4-14(7-13)10-26-23(32)18-9-15-8-17(15)29(18)20(30)12-28-19-11-25-6-5-16(19)21(27-28)22(24)31/h5-6,11,13-15,17-18H,2-4,7-10,12H2,1H3,(H2,24,31)(H,26,32)/t13-,14-,15+,17+,18-/m0/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254518
PNG
(US9468661, 96)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2cc(F)c(F)cc12
Show InChI InChI=1S/C20H19Cl2F2N5O3/c21-20(22)5-9(20)6-26-19(32)15-2-8-1-13(8)29(15)16(30)7-28-14-4-12(24)11(23)3-10(14)17(27-28)18(25)31/h3-4,8-9,13,15H,1-2,5-7H2,(H2,25,31)(H,26,32)/t8-,9-,13-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254457
PNG
(US9468661, 35)
Show SMILES C[C@H](NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3ncccn3)ccc12)C1CC1(Cl)Cl
Show InChI InChI=1S/C27H28Cl2N6O4/c1-14(19-11-27(19,28)29)32-26(38)22-9-16-8-21(16)35(22)24(37)12-34-20-5-4-17(10-18(20)25(33-34)15(2)36)39-13-23-30-6-3-7-31-23/h3-7,10,14,16,19,21-22H,8-9,11-13H2,1-2H3,(H,32,38)/t14-,16+,19?,21+,22+/m0/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254505
PNG
(US9468661, 83)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H]3C[C@H]3[C@H]2C(=O)NC[C@@H]2CC2(Cl)Cl)c2ccccc12
Show InChI InChI=1S/C20H21Cl2N5O3/c21-20(22)6-11(20)7-24-19(30)17-13-5-10(13)8-26(17)15(28)9-27-14-4-2-1-3-12(14)16(25-27)18(23)29/h1-4,10-11,13,17H,5-9H2,(H2,23,29)(H,24,30)/t10-,11+,13-,17+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254436
PNG
(US9468661, 14)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CCCC(C2)C(F)(F)F)c2cnccc12
Show InChI InChI=1S/C24H28F3N5O3/c1-13(33)22-17-5-6-28-11-20(17)31(30-22)12-21(34)32-18-8-15(18)9-19(32)23(35)29-10-14-3-2-4-16(7-14)24(25,26)27/h5-6,11,14-16,18-19H,2-4,7-10,12H2,1H3,(H,29,35)/t14?,15-,16?,18-,19+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254437
PNG
(US9468661, 15)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2(CC2)C2CCCCC2)c2cnccc12
Show InChI InChI=1S/C25H31N5O3/c1-15(31)23-18-7-10-26-13-21(18)29(28-23)14-22(32)30-19-11-16(19)12-20(30)24(33)27-25(8-9-25)17-5-3-2-4-6-17/h7,10,13,16-17,19-20H,2-6,8-9,11-12,14H2,1H3,(H,27,33)/t16-,19-,20+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254440
PNG
(US9468661, 18)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@@H]2C(=O)NCC2CCCC(C)(C)C2)c2cnccc12
Show InChI InChI=1S/C25H33N5O3/c1-15(31)23-18-6-8-26-13-21(18)29(28-23)14-22(32)30-19-9-17(19)10-20(30)24(33)27-12-16-5-4-7-25(2,3)11-16/h6,8,13,16-17,19-20H,4-5,7,9-12,14H2,1-3H3,(H,27,33)/t16?,17-,19-,20-/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254489
PNG
(US9468661, 67)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CC2(F)F)c2ccccc12
Show InChI InChI=1S/C20H21F2N5O3/c21-20(22)7-11(20)8-24-19(30)15-6-10-5-14(10)27(15)16(28)9-26-13-4-2-1-3-12(13)17(25-26)18(23)29/h1-4,10-11,14-15H,5-9H2,(H2,23,29)(H,24,30)/t10-,11?,14-,15+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254538
PNG
(US9468661, 116)
Show SMILES C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc23)C1
Show InChI InChI=1S/C23H30N6O3/c1-13-3-2-4-14(7-13)10-26-23(32)18-9-15-8-17(15)29(18)20(30)12-28-19-11-25-6-5-16(19)21(27-28)22(24)31/h5-6,11,13-15,17-18H,2-4,7-10,12H2,1H3,(H2,24,31)(H,26,32)/t13-,14-,15-,17-,18+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254509
PNG
(US9468661, 87)
Show SMILES C[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12
Show InChI InChI=1S/C22H28N6O3/c1-12-3-2-4-13(12)9-25-22(31)17-8-14-7-16(14)28(17)19(29)11-27-18-10-24-6-5-15(18)20(26-27)21(23)30/h5-6,10,12-14,16-17H,2-4,7-9,11H2,1H3,(H2,23,30)(H,25,31)/t12-,13+,14-,16-,17+/m1/s1
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Novartis AG

US Patent


Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254431
PNG
(US9468661, 9)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](CO)C2CCCCC2)c2cnccc12
Show InChI InChI=1S/C24H31N5O4/c1-14(31)23-17-7-8-25-11-21(17)28(27-23)12-22(32)29-19-9-16(19)10-20(29)24(33)26-18(13-30)15-5-3-2-4-6-15/h7-8,11,15-16,18-20,30H,2-6,9-10,12-13H2,1H3,(H,26,33)/t16-,18-,19-,20+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254517
PNG
(US9468661, 95)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccncc12
Show InChI InChI=1S/C19H20Cl2N6O3/c20-19(21)5-10(19)6-24-18(30)14-4-9-3-13(9)27(14)15(28)8-26-12-1-2-23-7-11(12)16(25-26)17(22)29/h1-2,7,9-10,13-14H,3-6,8H2,(H2,22,29)(H,24,30)/t9-,10-,13-,14+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254430
PNG
(US9468661, 8)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CC3(CC3)C2)c2cnccc12
Show InChI InChI=1S/C23H27N5O3/c1-13(29)21-16-2-5-24-11-19(16)27(26-21)12-20(30)28-17-6-15(17)7-18(28)22(31)25-10-14-8-23(9-14)3-4-23/h2,5,11,14-15,17-18H,3-4,6-10,12H2,1H3,(H,25,31)/t15-,17-,18+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254456
PNG
(US9468661, 34)
Show SMILES C[C@@H](NC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3ncccn3)ccc12)C1CC1(Cl)Cl
Show InChI InChI=1S/C27H28Cl2N6O4/c1-14(19-11-27(19,28)29)32-26(38)22-9-16-8-21(16)35(22)24(37)12-34-20-5-4-17(10-18(20)25(33-34)15(2)36)39-13-23-30-6-3-7-31-23/h3-7,10,14,16,19,21-22H,8-9,11-13H2,1-2H3,(H,32,38)/t14-,16-,19?,21-,22-/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254508
PNG
(US9468661, 86)
Show SMILES C[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12
Show InChI InChI=1S/C22H28N6O3/c1-12-3-2-4-13(12)9-25-22(31)17-8-14-7-16(14)28(17)19(29)11-27-18-10-24-6-5-15(18)20(26-27)21(23)30/h5-6,10,12-14,16-17H,2-4,7-9,11H2,1H3,(H2,23,30)(H,25,31)/t12-,13+,14+,16+,17-/m0/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254439
PNG
(US9468661, 17)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CCCC(C)(C)C2)c2cnccc12
Show InChI InChI=1S/C25H33N5O3/c1-15(31)23-18-6-8-26-13-21(18)29(28-23)14-22(32)30-19-9-17(19)10-20(30)24(33)27-12-16-5-4-7-25(2,3)11-16/h6,8,13,16-17,19-20H,4-5,7,9-12,14H2,1-3H3,(H,27,33)/t16?,17-,19-,20+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254446
PNG
(US9468661, 24)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@@H]2C(=O)NC(CO)C2CC2(Cl)Cl)c2ccccc12
Show InChI InChI=1S/C21H23Cl2N5O4/c22-21(23)7-12(21)13(9-29)25-20(32)16-6-10-5-15(10)28(16)17(30)8-27-14-4-2-1-3-11(14)18(26-27)19(24)31/h1-4,10,12-13,15-16,29H,5-9H2,(H2,24,31)(H,25,32)/t10-,12?,13?,15-,16-/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254510
PNG
(US9468661, 88)
Show SMILES C[C@H]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12
Show InChI InChI=1S/C22H28N6O3/c1-12-3-2-4-13(12)9-25-22(31)17-8-14-7-16(14)28(17)19(29)11-27-18-10-24-6-5-15(18)20(26-27)21(23)30/h5-6,10,12-14,16-17H,2-4,7-9,11H2,1H3,(H2,23,30)(H,25,31)/t12-,13-,14+,16+,17-/m0/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254537
PNG
(US9468661, 115)
Show SMILES C[C@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccncc23)C1
Show InChI InChI=1S/C23H30N6O3/c1-13-3-2-4-14(7-13)10-26-23(32)18-9-15-8-17(15)29(18)20(30)12-28-19-11-25-6-5-16(19)21(27-28)22(24)31/h5-6,11,13-15,17-18H,2-4,7-10,12H2,1H3,(H2,24,31)(H,26,32)/t13-,14+,15+,17+,18-/m0/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254426
PNG
(US9468661, 4)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CCC(C)(C)CC2)c2cnccc12
Show InChI InChI=1S/C25H33N5O3/c1-15(31)23-18-6-9-26-13-21(18)29(28-23)14-22(32)30-19-10-17(19)11-20(30)24(33)27-12-16-4-7-25(2,3)8-5-16/h6,9,13,16-17,19-20H,4-5,7-8,10-12,14H2,1-3H3,(H,27,33)/t17-,19-,20+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254435
PNG
(US9468661, 13)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2(C)CC2(Cl)Cl)c2cnccc12
Show InChI InChI=1S/C21H23Cl2N5O3/c1-11(29)18-13-3-4-24-7-16(13)27(26-18)8-17(30)28-14-5-12(14)6-15(28)19(31)25-10-20(2)9-21(20,22)23/h3-4,7,12,14-15H,5-6,8-10H2,1-2H3,(H,25,31)/t12-,14-,15+,20?/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254444
PNG
(US9468661, 22)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@@H]2C(=O)NCC2CCCCC2(C)C)c2cnccc12
Show InChI InChI=1S/C25H33N5O3/c1-15(31)23-18-7-9-26-13-21(18)29(28-23)14-22(32)30-19-10-16(19)11-20(30)24(33)27-12-17-6-4-5-8-25(17,2)3/h7,9,13,16-17,19-20H,4-6,8,10-12,14H2,1-3H3,(H,27,33)/t16-,17?,19-,20-/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254545
PNG
(US9468661, 123)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](CO)C23CC(C2)(C3)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C24H26F3N5O4/c25-24(26,27)23-9-22(10-23,11-23)17(8-33)29-21(36)16-6-12-5-15(12)32(16)18(34)7-31-14-4-2-1-3-13(14)19(30-31)20(28)35/h1-4,12,15-17,33H,5-11H2,(H2,28,35)(H,29,36)/t12-,15-,16+,17-,22?,23?/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254425
PNG
(US9468661, 3)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CCC3(CCC3)CC2)c2cnccc12
Show InChI InChI=1S/C26H33N5O3/c1-16(32)24-19-5-10-27-14-22(19)30(29-24)15-23(33)31-20-11-18(20)12-21(31)25(34)28-13-17-3-8-26(9-4-17)6-2-7-26/h5,10,14,17-18,20-21H,2-4,6-9,11-13,15H2,1H3,(H,28,34)/t18-,20-,21+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254434
PNG
(US9468661, 12)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CC2(C)C)c2ncccc12
Show InChI InChI=1S/C22H27N5O3/c1-12(28)19-15-5-4-6-23-20(15)26(25-19)11-18(29)27-16-7-13(16)8-17(27)21(30)24-10-14-9-22(14,2)3/h4-6,13-14,16-17H,7-11H2,1-3H3,(H,24,30)/t13-,14?,16-,17+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254507
PNG
(US9468661, 85)
Show SMILES C[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12
Show InChI InChI=1S/C22H28N6O3/c1-12-3-2-4-13(12)9-25-22(31)17-8-14-7-16(14)28(17)19(29)11-27-18-10-24-6-5-15(18)20(26-27)21(23)30/h5-6,10,12-14,16-17H,2-4,7-9,11H2,1H3,(H2,23,30)(H,25,31)/t12-,13-,14-,16-,17+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254432
PNG
(US9468661, 10)
Show SMILES CCC1(CC)CC1CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cccnc12
Show InChI InChI=1S/C24H31N5O3/c1-4-24(5-2)11-16(24)12-26-23(32)19-10-15-9-18(15)29(19)20(31)13-28-22-17(7-6-8-25-22)21(27-28)14(3)30/h6-8,15-16,18-19H,4-5,9-13H2,1-3H3,(H,26,32)/t15-,16?,18-,19+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254441
PNG
(US9468661, 19)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CCCC2(C)C)c2cnccc12
Show InChI InChI=1S/C24H31N5O3/c1-14(30)22-17-6-8-25-12-20(17)28(27-22)13-21(31)29-18-9-15(18)10-19(29)23(32)26-11-16-5-4-7-24(16,2)3/h6,8,12,15-16,18-19H,4-5,7,9-11,13H2,1-3H3,(H,26,32)/t15-,16?,18-,19+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254445
PNG
(US9468661, 23)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC(CO)C2CC2(Cl)Cl)c2ccccc12
Show InChI InChI=1S/C21H23Cl2N5O4/c22-21(23)7-12(21)13(9-29)25-20(32)16-6-10-5-15(10)28(16)17(30)8-27-14-4-2-1-3-11(14)18(26-27)19(24)31/h1-4,10,12-13,15-16,29H,5-9H2,(H2,24,31)(H,25,32)/t10-,12?,13?,15-,16+/m1/s1
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254424
PNG
(US9468661, 2)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2C(C)(C)C2(C)C)c2ncccc12
Show InChI InChI=1S/C24H31N5O3/c1-13(30)20-15-7-6-8-25-21(15)28(27-20)12-19(31)29-16-9-14(16)10-17(29)22(32)26-11-18-23(2,3)24(18,4)5/h6-8,14,16-18H,9-12H2,1-5H3,(H,26,32)/t14-,16-,17+/m1/s1
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 1.85E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


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More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254423
PNG
(US9468661, 1)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CC2)c2ncccc12
Show InChI InChI=1S/C20H23N5O3/c1-11(26)18-14-3-2-6-21-19(14)24(23-18)10-17(27)25-15-7-13(15)8-16(25)20(28)22-9-12-4-5-12/h2-3,6,12-13,15-16H,4-5,7-10H2,1H3,(H,22,28)/t13-,15-,16+/m1/s1
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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 4.79E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254427
PNG
(US9468661, 5)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2ccncc12)C1CCCCC1
Show InChI InChI=1S/C24H31N5O3/c1-14(16-6-4-3-5-7-16)26-24(32)20-11-17-10-19(17)29(20)22(31)13-28-21-12-25-9-8-18(21)23(27-28)15(2)30/h8-9,12,14,16-17,19-20H,3-7,10-11,13H2,1-2H3,(H,26,32)/t14-,17+,19+,20-/m0/s1
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UniProtKB/SwissProt

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US Patent
n/an/a 5.25E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


Citation and Details
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254472
PNG
(US9468661, 50)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](CO)C2CC2(Cl)Cl)c2ccccc12
Show InChI InChI=1S/C21H23Cl2N5O4/c22-21(23)7-12(21)13(9-29)25-20(32)16-6-10-5-15(10)28(16)17(30)8-27-14-4-2-1-3-11(14)18(26-27)19(24)31/h1-4,10,12-13,15-16,29H,5-9H2,(H2,24,31)(H,25,32)/t10-,12?,13-,15-,16+/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/a 7.30E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


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