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Patent code US9464081

Compile Data Set for Download or QSAR
Found 23 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))
BDBM249390
PNG
(US9464081, 22)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc12)C(F)=C(C)C
Show InChI InChI=1S/C22H26FN5O3/c1-11(2)19(23)12(3)25-22(31)17-9-13-8-16(13)28(17)18(29)10-27-15-7-5-4-6-14(15)20(26-27)21(24)30/h4-7,12-13,16-17H,8-10H2,1-3H3,(H2,24,30)(H,25,31)/t12-,13-,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))
BDBM249383
PNG
(US9464081, 16)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3ncccn3)ccc12
Show InChI InChI=1S/C27H29FN6O4/c1-15(2)20(28)12-31-27(37)23-10-17-9-22(17)34(23)25(36)13-33-21-6-5-18(11-19(21)26(32-33)16(3)35)38-14-24-29-7-4-8-30-24/h4-8,11,17,22-23H,9-10,12-14H2,1-3H3,(H,31,37)/t17-,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))
BDBM249386
PNG
(US9464081, 19)
Show SMILES CC(NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc12)C(F)=C(C)C
Show InChI InChI=1S/C22H26FN5O3/c1-11(2)19(23)12(3)25-22(31)17-9-13-8-16(13)28(17)18(29)10-27-15-7-5-4-6-14(15)20(26-27)21(24)30/h4-7,12-13,16-17H,8-10H2,1-3H3,(H2,24,30)(H,25,31)/t12?,13-,16-,17+/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))
BDBM249378
PNG
(US9464081, 11)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2ccccc12
Show InChI InChI=1S/C22H25FN4O3/c1-12(2)16(23)10-24-22(30)19-9-14-8-18(14)27(19)20(29)11-26-17-7-5-4-6-15(17)21(25-26)13(3)28/h4-7,14,18-19H,8-11H2,1-3H3,(H,24,30)/t14-,18-,19+/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))
BDBM249389
PNG
(US9464081, 23)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Nc1cn(C(N)=O)c2ccccc12
Show InChI InChI=1S/C21H24FN5O3/c1-11(2)14(22)9-24-19(28)18-8-12-7-17(12)27(18)21(30)25-15-10-26(20(23)29)16-6-4-3-5-13(15)16/h3-6,10,12,17-18H,7-9H2,1-2H3,(H2,23,29)(H,24,28)(H,25,30)/t12-,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))
BDBM249368
PNG
(US9464081, 1)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C21H23ClFN5O3/c1-10(2)14(23)8-25-21(31)17-6-11-5-15(11)28(17)18(29)9-27-16-7-12(22)3-4-13(16)19(26-27)20(24)30/h3-4,7,11,15,17H,5-6,8-9H2,1-2H3,(H2,24,30)(H,25,31)/t11-,15-,17+/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))
BDBM249369
PNG
(US9464081, 2)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc12
Show InChI InChI=1S/C21H24FN5O3/c1-11(2)14(22)9-24-21(30)17-8-12-7-16(12)27(17)18(28)10-26-15-6-4-3-5-13(15)19(25-26)20(23)29/h3-6,12,16-17H,7-10H2,1-2H3,(H2,23,29)(H,24,30)/t12-,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))
BDBM249380
PNG
(US9464081, 13)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2ccncc12
Show InChI InChI=1S/C21H24FN5O3/c1-11(2)15(22)8-24-21(30)17-7-13-6-16(13)27(17)19(29)10-26-18-9-23-5-4-14(18)20(25-26)12(3)28/h4-5,9,13,16-17H,6-8,10H2,1-3H3,(H,24,30)/t13-,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))
BDBM249382
PNG
(US9464081, 15)
Show SMILES CCc1cc2c(nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NCC(F)=C(C)C)c2cn1)C(N)=O
Show InChI InChI=1S/C22H27FN6O3/c1-4-13-7-14-18(9-25-13)28(27-20(14)21(24)31)10-19(30)29-16-5-12(16)6-17(29)22(32)26-8-15(23)11(2)3/h7,9,12,16-17H,4-6,8,10H2,1-3H3,(H2,24,31)(H,26,32)/t12-,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))
BDBM249385
PNG
(US9464081, 18)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc12
Show InChI InChI=1S/C21H24FN5O3/c1-11(2)14(22)9-24-21(30)17-8-12-7-16(12)27(17)18(28)10-26-15-6-4-3-5-13(15)19(25-26)20(23)29/h3-6,12,16-17H,7-10H2,1-2H3,(H2,23,29)(H,24,30)/t12-,16-,17+/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))
BDBM249374
PNG
(US9464081, 7)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2ccccc12
Show InChI InChI=1S/C20H23F2N5O3/c1-11(2)14(22)8-24-20(30)16-7-12(21)9-26(16)17(28)10-27-15-6-4-3-5-13(15)18(25-27)19(23)29/h3-6,12,16H,7-10H2,1-2H3,(H2,23,29)(H,24,30)/t12-,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))
BDBM249375
PNG
(US9464081, 8)
Show SMILES CO[C@@H]1[C@@H](F)CN([C@@H]1C(=O)NCC(F)=C(C)C)C(=O)Cn1nc(C(N)=O)c2ccccc12
Show InChI InChI=1S/C21H25F2N5O4/c1-11(2)13(22)8-25-21(31)18-19(32-3)14(23)9-27(18)16(29)10-28-15-7-5-4-6-12(15)17(26-28)20(24)30/h4-7,14,18-19H,8-10H2,1-3H3,(H2,24,30)(H,25,31)/t14-,18-,19+/m0/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))
BDBM249381
PNG
(US9464081, 14)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccnc(C)c12
Show InChI InChI=1S/C21H25FN6O3/c1-10(2)14(22)8-25-21(31)16-7-12-6-15(12)28(16)17(29)9-27-19-11(3)24-5-4-13(19)18(26-27)20(23)30/h4-5,12,15-16H,6-9H2,1-3H3,(H2,23,30)(H,25,31)/t12-,15-,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))
BDBM249379
PNG
(US9464081, 12)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2cc(C)ncc12
Show InChI InChI=1S/C21H25FN6O3/c1-10(2)14(22)7-25-21(31)16-6-12-5-15(12)28(16)18(29)9-27-17-8-24-11(3)4-13(17)19(26-27)20(23)30/h4,8,12,15-16H,5-7,9H2,1-3H3,(H2,23,30)(H,25,31)/t12-,15-,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))
BDBM249377
PNG
(US9464081, 10)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12
Show InChI InChI=1S/C20H23FN6O3/c1-10(2)13(21)7-24-20(30)15-6-11-5-14(11)27(15)17(28)9-26-16-8-23-4-3-12(16)18(25-26)19(22)29/h3-4,8,11,14-15H,5-7,9H2,1-2H3,(H2,22,29)(H,24,30)/t11-,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))
BDBM249387
PNG
(US9464081, 20)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC\C(F)=C\C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C20H19F4N5O3/c21-11(7-20(22,23)24)8-26-19(32)15-6-10-5-14(10)29(15)16(30)9-28-13-4-2-1-3-12(13)17(27-28)18(25)31/h1-4,7,10,14-15H,5-6,8-9H2,(H2,25,31)(H,26,32)/b11-7-/t10-,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))
BDBM249373
PNG
(US9464081, 6)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@@]2(CO)C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc12
Show InChI InChI=1S/C22H26FN5O4/c1-12(2)14(23)9-25-21(32)16-7-22(11-29)8-17(22)28(16)18(30)10-27-15-6-4-3-5-13(15)19(26-27)20(24)31/h3-6,16-17,29H,7-11H2,1-2H3,(H2,24,31)(H,25,32)/t16-,17+,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))
BDBM249384
PNG
(US9464081, 17)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC(F)=C2CCCC2)c2ccccc12
Show InChI InChI=1S/C23H26FN5O3/c24-16(13-5-1-2-6-13)11-26-23(32)19-10-14-9-18(14)29(19)20(30)12-28-17-8-4-3-7-15(17)21(27-28)22(25)31/h3-4,7-8,14,18-19H,1-2,5-6,9-12H2,(H2,25,31)(H,26,32)/t14-,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))
BDBM249372
PNG
(US9464081, 5)
Show SMILES CO[C@@H]1[C@@H](F)CN([C@@H]1C(=O)NCC(F)=C(C)C)C(=O)Cn1nc(C(N)=O)c2ccncc12
Show InChI InChI=1S/C20H24F2N6O4/c1-10(2)12(21)6-25-20(31)17-18(32-3)13(22)8-27(17)15(29)9-28-14-7-24-5-4-11(14)16(26-28)19(23)30/h4-5,7,13,17-18H,6,8-9H2,1-3H3,(H2,23,30)(H,25,31)/t13-,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))
BDBM249370
PNG
(US9464081, 3)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2ccncc12
Show InChI InChI=1S/C19H22F2N6O3/c1-10(2)13(21)6-24-19(30)14-5-11(20)8-26(14)16(28)9-27-15-7-23-4-3-12(15)17(25-27)18(22)29/h3-4,7,11,14H,5-6,8-9H2,1-2H3,(H2,22,29)(H,24,30)/t11-,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))
BDBM249376
PNG
(US9464081, 9)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2cc(C)nc(C)c12
Show InChI InChI=1S/C22H27FN6O3/c1-10(2)15(23)8-25-22(32)17-7-13-6-16(13)29(17)18(30)9-28-20-12(4)26-11(3)5-14(20)19(27-28)21(24)31/h5,13,16-17H,6-9H2,1-4H3,(H2,24,31)(H,25,32)/t13-,16-,17+/m1/s1
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 356n/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))
BDBM249371
PNG
(US9464081, 4)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccc(C)cc12
Show InChI InChI=1S/C22H26FN5O3/c1-11(2)15(23)9-25-22(31)18-8-13-7-16(13)28(18)19(29)10-27-17-6-12(3)4-5-14(17)20(26-27)21(24)30/h4-6,13,16,18H,7-10H2,1-3H3,(H2,24,30)(H,25,31)/t13-,16-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 450n/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))
BDBM249388
PNG
(US9464081, 21)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc12)C(F)=C(C)C
Show InChI InChI=1S/C22H26FN5O3/c1-11(2)19(23)12(3)25-22(31)17-9-13-8-16(13)28(17)18(29)10-27-15-7-5-4-6-14(15)20(26-27)21(24)30/h4-7,12-13,16-17H,8-10H2,1-3H3,(H2,24,30)(H,25,31)/t12-,13+,16+,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+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%