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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with Target = 'Complement factor B' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Complement factor B


(Homo sapiens (Human))
BDBM251876
PNG
(US9475806, 9-D b) (-))
Show SMILES CNC(c1nc2cc(cnc2[nH]1)C#N)(c1c(OC)cc(C)c2[nH]ccc12)C(F)(F)F
Show InChI InChI=1/C20H17F3N6O/c1-10-6-14(30-3)15(12-4-5-26-16(10)12)19(25-2,20(21,22)23)18-28-13-7-11(8-24)9-27-17(13)29-18/h4-7,9,25-26H,1-3H3,(H,27,28,29)
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n/an/a 30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251874
PNG
(US9475806, 8-B b) (-))
Show SMILES COc1cc(C)c2[nH]ccc2c1C(C)(OC)c1nc2cc(cnc2[nH]1)C#N
Show InChI InChI=1/C20H19N5O2/c1-11-7-15(26-3)16(13-5-6-22-17(11)13)20(2,27-4)19-24-14-8-12(9-21)10-23-18(14)25-19/h5-8,10,22H,1-4H3,(H,23,24,25)
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n/an/a 30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251882
PNG
(US9475806, 12-D)
Show SMILES COc1cc(C)c2[nH]ccc2c1C(C)(C)c1nc2cc(cnc2[nH]1)C#N
Show InChI InChI=1S/C20H19N5O/c1-11-7-15(26-4)16(13-5-6-22-17(11)13)20(2,3)19-24-14-8-12(9-21)10-23-18(14)25-19/h5-8,10,22H,1-4H3,(H,23,24,25)
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Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251878
PNG
(US9475806, 10-B b) (-))
Show SMILES COc1cc(C)c2[nH]ccc2c1C(C)(N)c1nc2cc(cnc2[nH]1)C#N
Show InChI InChI=1/C19H18N6O/c1-10-6-14(26-3)15(12-4-5-22-16(10)12)19(2,21)18-24-13-7-11(8-20)9-23-17(13)25-18/h4-7,9,22H,21H2,1-3H3,(H,23,24,25)
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n/an/a 40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251873
PNG
(US9475806, 7-D b) (+))
Show SMILES COc1cc(C)c2[nH]ccc2c1C(C)(O)c1nc2cc(cnc2[nH]1)C#N
Show InChI InChI=1/C19H17N5O2/c1-10-6-14(26-3)15(12-4-5-21-16(10)12)19(2,25)18-23-13-7-11(8-20)9-22-17(13)24-18/h4-7,9,21,25H,1-3H3,(H,22,23,24)
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Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251887
PNG
(US9475806, 17-C)
Show SMILES Cc1cc(C2CC2)c(c2cc[nH]c12)C(C)(O)c1nc2cc(cnc2[nH]1)C#N
Show InChI InChI=1/C21H19N5O/c1-11-7-15(13-3-4-13)17(14-5-6-23-18(11)14)21(2,27)20-25-16-8-12(9-22)10-24-19(16)26-20/h5-8,10,13,23,27H,3-4H2,1-2H3,(H,24,25,26)
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Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251888
PNG
(US9475806, 17-G)
Show SMILES Cc1cc(C2CC2)c(c2cc[nH]c12)C(N)(c1nc2cc(cnc2[nH]1)C#N)C(F)(F)F
Show InChI InChI=1/C21H17F3N6/c1-10-6-14(12-2-3-12)16(13-4-5-27-17(10)13)20(26,21(22,23)24)19-29-15-7-11(8-25)9-28-18(15)30-19/h4-7,9,12,27H,2-3,26H2,1H3,(H,28,29,30)
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Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251870
PNG
(US9475806, 6-C b) (-))
Show SMILES COc1cc(C)c2[nH]ccc2c1C(O)c1nc2ncc(cc2[nH]1)C#N
Show InChI InChI=1/C18H15N5O2/c1-9-5-13(25-2)14(11-3-4-20-15(9)11)16(24)18-22-12-6-10(7-19)8-21-17(12)23-18/h3-6,8,16,20,24H,1-2H3,(H,21,22,23)
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Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251883
PNG
(US9475806, 14-I b) (-))
Show SMILES CCc1cc(C)c2[nH]ccc2c1C(O)(c1nc2cc(cnc2[nH]1)C#N)C(F)(F)F
Show InChI InChI=1/C20H16F3N5O/c1-3-12-6-10(2)16-13(4-5-25-16)15(12)19(29,20(21,22)23)18-27-14-7-11(8-24)9-26-17(14)28-18/h4-7,9,25,29H,3H2,1-2H3,(H,26,27,28)
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Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251872
PNG
(US9475806, 7-D b) (-))
Show SMILES COc1cc(C)c2[nH]ccc2c1C(C)(O)c1nc2cc(cnc2[nH]1)C#N
Show InChI InChI=1/C19H17N5O2/c1-10-6-14(26-3)15(12-4-5-21-16(10)12)19(2,25)18-23-13-7-11(8-20)9-22-17(13)24-18/h4-7,9,21,25H,1-3H3,(H,22,23,24)
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Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251869
PNG
(US9475806, 5-B b) (-))
Show SMILES COc1cc(C)c2[nH]ccc2c1C(N)(c1nc2cc(cnc2[nH]1)C#N)C(F)(F)F
Show InChI InChI=1/C19H15F3N6O/c1-9-5-13(29-2)14(11-3-4-25-15(9)11)18(24,19(20,21)22)17-27-12-6-10(7-23)8-26-16(12)28-17/h3-6,8,25H,24H2,1-2H3,(H,26,27,28)
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n/an/a 140n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314023
PNG
((6S,9S,12S,15S,18S,21S)-21-acetamido-1,26-diamino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C36H68N12O8/c1-19(2)16-25(30(52)43-21(5)28(50)45-24(33(55)56)13-11-15-42-35(39)40)47-32(54)27(18-36(7,8)9)48-31(53)26(17-20(3)4)46-29(51)23(44-22(6)49)12-10-14-41-34(37)38/h19-21,23-27H,10-18H2,1-9H3,(H,43,52)(H,44,49)(H,45,50)(H,46,51)(H,47,54)(H,48,53)(H,55,56)(H4,37,38,41)(H4,39,40,42)/t21-,23-,24-,25-,26-,27-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B treated for 5 mins before addition of substrate Ac-SHLGLAR-pNA at pH 9.5 by chromogenic assay


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251868
PNG
(US9475806, 5-B b) (+))
Show SMILES COc1cc(C)c2[nH]ccc2c1C(N)(c1nc2cc(cnc2[nH]1)C#N)C(F)(F)F
Show InChI InChI=1/C19H15F3N6O/c1-9-5-13(29-2)14(11-3-4-25-15(9)11)18(24,19(20,21)22)17-27-12-6-10(7-23)8-26-16(12)28-17/h3-6,8,25H,24H2,1-2H3,(H,26,27,28)
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Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251880
PNG
(US9475806, 11-B b) (-))
Show SMILES CNC(C)(c1nc2cc(cnc2[nH]1)C#N)c1c(OC)cc(C)c2[nH]ccc12
Show InChI InChI=1/C20H20N6O/c1-11-7-15(27-4)16(13-5-6-23-17(11)13)20(2,22-3)19-25-14-8-12(9-21)10-24-18(14)26-19/h5-8,10,22-23H,1-4H3,(H,24,25,26)
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n/an/a 295n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251886
PNG
(US9475806, 16-G)
Show SMILES Cc1cc(C2CC2)c(C(O)c2nc3cc(cnc3[nH]2)C#N)c2cc[nH]c12
Show InChI InChI=1/C20H17N5O/c1-10-6-14(12-2-3-12)16(13-4-5-22-17(10)13)18(26)20-24-15-7-11(8-21)9-23-19(15)25-20/h4-7,9,12,18,22,26H,2-3H2,1H3,(H,23,24,25)
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Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251885
PNG
(US9475806, 15-D)
Show SMILES CCc1cc(C)c2[nH]ccc2c1C(C)(NC)c1nc2cc(cnc2[nH]1)C#N
Show InChI InChI=1/C21H22N6/c1-5-14-8-12(2)18-15(6-7-24-18)17(14)21(3,23-4)20-26-16-9-13(10-22)11-25-19(16)27-20/h6-9,11,23-24H,5H2,1-4H3,(H,25,26,27)
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Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314024
PNG
((6S,9S,12S,15S,18S,21S)-21-acetamido-1,26-diamino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C35H66N12O8/c1-18(2)15-25(30(51)42-21(7)28(49)44-24(33(54)55)12-10-14-41-35(38)39)46-32(53)27(17-20(5)6)47-31(52)26(16-19(3)4)45-29(50)23(43-22(8)48)11-9-13-40-34(36)37/h18-21,23-27H,9-17H2,1-8H3,(H,42,51)(H,43,48)(H,44,49)(H,45,50)(H,46,53)(H,47,52)(H,54,55)(H4,36,37,40)(H4,38,39,41)/t21-,23-,24-,25-,26-,27-/m0/s1
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The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B treated for 5 mins before addition of substrate Ac-SHLGLAR-pNA at pH 9.5 by chromogenic assay


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251871
PNG
(US9475806, 6-C b) (+))
Show SMILES COc1cc(C)c2[nH]ccc2c1C(O)c1nc2ncc(cc2[nH]1)C#N
Show InChI InChI=1/C18H15N5O2/c1-9-5-13(25-2)14(11-3-4-20-15(9)11)16(24)18-22-12-6-10(7-19)8-21-17(12)23-18/h3-6,8,16,20,24H,1-2H3,(H,21,22,23)
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Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251875
PNG
(US9475806, 8-B b) (+))
Show SMILES COc1cc(C)c2[nH]ccc2c1C(C)(OC)c1nc2cc(cnc2[nH]1)C#N
Show InChI InChI=1/C20H19N5O2/c1-11-7-15(26-3)16(13-5-6-22-17(11)13)20(2,27-4)19-24-14-8-12(9-21)10-23-18(14)25-19/h5-8,10,22H,1-4H3,(H,23,24,25)
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Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251879
PNG
(US9475806, 10-B b) (+))
Show SMILES COc1cc(C)c2[nH]ccc2c1C(C)(N)c1nc2cc(cnc2[nH]1)C#N
Show InChI InChI=1/C19H18N6O/c1-10-6-14(26-3)15(12-4-5-22-16(10)12)19(2,21)18-24-13-7-11(8-20)9-23-17(13)25-18/h4-7,9,22H,21H2,1-3H3,(H,23,24,25)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251877
PNG
(US9475806, 9-D b) (+))
Show SMILES CNC(c1nc2cc(cnc2[nH]1)C#N)(c1c(OC)cc(C)c2[nH]ccc12)C(F)(F)F
Show InChI InChI=1/C20H17F3N6O/c1-10-6-14(30-3)15(12-4-5-26-16(10)12)19(25-2,20(21,22)23)18-28-13-7-11(8-24)9-27-17(13)29-18/h4-7,9,25-26H,1-3H3,(H,27,28,29)
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n/an/a 1.53E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251884
PNG
(US9475806, 14-I b) (+))
Show SMILES CCc1cc(C)c2[nH]ccc2c1C(O)(c1nc2cc(cnc2[nH]1)C#N)C(F)(F)F
Show InChI InChI=1/C20H16F3N5O/c1-3-12-6-10(2)16-13(4-5-25-16)15(12)19(29,20(21,22)23)18-27-14-7-11(8-24)9-26-17(14)28-18/h4-7,9,25,29H,3H2,1-2H3,(H,26,27,28)
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n/an/a 2.35E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314028
PNG
((6S,9S,12S,15S,18S,21S)-21-((1H-imidazol-5-yl)meth...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C35H61N11O8/c1-18(2)12-25(30(49)41-21(7)29(48)43-24(34(53)54)10-9-11-39-35(36)37)44-31(50)26(13-19(3)4)45-32(51)27(14-20(5)6)46-33(52)28(42-22(8)47)15-23-16-38-17-40-23/h16-21,24-28H,9-15H2,1-8H3,(H,38,40)(H,41,49)(H,42,47)(H,43,48)(H,44,50)(H,45,51)(H,46,52)(H,53,54)(H4,36,37,39)/t21-,24-,25-,26-,27-,28-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B treated for 5 mins before addition of substrate Ac-SHLGLAR-pNA at pH 9.5 by chromogenic assay


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314027
PNG
((6S,9S,12S,15S,18S)-1-amino-1-imino-12,15,18-triis...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C29H54N8O7/c1-15(2)12-21(34-19(8)38)26(41)37-23(14-17(5)6)27(42)36-22(13-16(3)4)25(40)33-18(7)24(39)35-20(28(43)44)10-9-11-32-29(30)31/h15-18,20-23H,9-14H2,1-8H3,(H,33,40)(H,34,38)(H,35,39)(H,36,42)(H,37,41)(H,43,44)(H4,30,31,32)/t18-,20-,21-,22-,23-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B treated for 5 mins before addition of substrate Ac-SHLGLAR-pNA at pH 9.5 by chromogenic assay


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM251881
PNG
(US9475806, 11-B b) (+))
Show SMILES CNC(C)(c1nc2cc(cnc2[nH]1)C#N)c1c(OC)cc(C)c2[nH]ccc12
Show InChI InChI=1/C20H20N6O/c1-11-7-15(27-4)16(13-5-6-23-17(11)13)20(2,22-3)19-25-14-8-12(9-21)10-24-18(14)26-19/h5-8,10,22-23H,1-4H3,(H,24,25,26)
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n/an/a 3.14E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptav...


US Patent US9475806 (2016)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50241352
PNG
(2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[(2S...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C66H99N23O17S2/c1-8-32(6)50(68)63(104)86-46-27-108-107-26-45(62(103)89-53(33(7)90)54(69)95)85-56(97)39(14-11-17-74-66(70)71)80-59(100)43(20-36-24-73-29-78-36)83-58(99)42(19-35-23-72-28-77-35)79-48(92)25-76-55(96)41(18-34-22-75-38-13-10-9-12-37(34)38)82-60(101)44(21-49(93)94)84-57(98)40(15-16-47(67)91)81-64(105)51(30(2)3)88-65(106)52(31(4)5)87-61(46)102/h9-10,12-13,22-24,28-33,39-46,50-53,75,90H,8,11,14-21,25-27,68H2,1-7H3,(H2,67,91)(H2,69,95)(H,72,77)(H,73,78)(H,76,96)(H,79,92)(H,80,100)(H,81,105)(H,82,101)(H,83,99)(H,84,98)(H,85,97)(H,86,104)(H,87,102)(H,88,106)(H,89,103)(H,93,94)(H4,70,71,74)/t32-,33+,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-,52-,53-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C3 convertase


Bioorg Med Chem 16: 1562-95 (2008)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314033
PNG
((6S,9S,12S,15S,18S,21S,24S)-21-((1H-imidazol-5-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C38H66N12O10/c1-19(2)12-26(32(54)44-22(7)31(53)46-25(37(59)60)10-9-11-42-38(39)40)47-33(55)27(13-20(3)4)48-34(56)28(14-21(5)6)49-35(57)29(15-24-16-41-18-43-24)50-36(58)30(17-51)45-23(8)52/h16,18-22,25-30,51H,9-15,17H2,1-8H3,(H,41,43)(H,44,54)(H,45,52)(H,46,53)(H,47,55)(H,48,56)(H,49,57)(H,50,58)(H,59,60)(H4,39,40,42)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B treated for 5 mins before addition of substrate Ac-SHLGLAR-pNA at pH 9.5 by chromogenic assay


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314031
PNG
((6S,9S,12S,15S,18S,21S,24S)-21-((1H-imidazol-5-yl)...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C38H66N12O10/c1-8-9-11-25(46-35(57)29(16-24-17-41-19-43-24)50-36(58)30(18-51)45-23(7)52)32(54)48-28(15-21(4)5)34(56)49-27(14-20(2)3)33(55)44-22(6)31(53)47-26(37(59)60)12-10-13-42-38(39)40/h17,19-22,25-30,51H,8-16,18H2,1-7H3,(H,41,43)(H,44,55)(H,45,52)(H,46,57)(H,47,53)(H,48,54)(H,49,56)(H,50,58)(H,59,60)(H4,39,40,42)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B treated for 5 mins before addition of substrate Ac-SHLGLAR-pNA at pH 9.5 by chromogenic assay


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314032
PNG
((2S,5S,8S,11S,14S,17S,20S)-17-((1H-imidazol-5-yl)m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C40H70N12O9/c1-22(2)16-30(36(57)47-24(5)33(54)49-29(39(60)61)12-9-15-45-40(42)43)51-35(56)28(14-13-25-10-7-6-8-11-25)48-37(58)31(17-23(3)4)52-38(59)32(18-26-19-44-21-46-26)50-34(55)27(41)20-53/h19,21-25,27-32,53H,6-18,20,41H2,1-5H3,(H,44,46)(H,47,57)(H,48,58)(H,49,54)(H,50,55)(H,51,56)(H,52,59)(H,60,61)(H4,42,43,45)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B treated for 5 mins before addition of substrate Ac-SHLGLAR-pNA at pH 9.5 by chromogenic assay


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314025
PNG
((6S,12S,15S,18S,21S)-21-acetamido-1,26-diamino-1,2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C34H64N12O8/c1-18(2)14-24(28(49)41-17-27(48)43-23(32(53)54)11-9-13-40-34(37)38)44-30(51)26(16-20(5)6)46-31(52)25(15-19(3)4)45-29(50)22(42-21(7)47)10-8-12-39-33(35)36/h18-20,22-26H,8-17H2,1-7H3,(H,41,49)(H,42,47)(H,43,48)(H,44,51)(H,45,50)(H,46,52)(H,53,54)(H4,35,36,39)(H4,37,38,40)/t22-,23-,24-,25-,26-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B treated for 5 mins before addition of substrate Ac-SHLGLAR-pNA at pH 9.5 by chromogenic assay


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314023
PNG
((6S,9S,12S,15S,18S,21S)-21-acetamido-1,26-diamino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C36H68N12O8/c1-19(2)16-25(30(52)43-21(5)28(50)45-24(33(55)56)13-11-15-42-35(39)40)47-32(54)27(18-36(7,8)9)48-31(53)26(17-20(3)4)46-29(51)23(44-22(6)49)12-10-14-41-34(37)38/h19-21,23-27H,10-18H2,1-9H3,(H,43,52)(H,44,49)(H,45,50)(H,46,51)(H,47,54)(H,48,53)(H,55,56)(H4,37,38,41)(H4,39,40,42)/t21-,23-,24-,25-,26-,27-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human C3 convertase assessed as inhibition of C3a and C3b fragment production at pH 7.4 after 30 mins by SDS-PAGE


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314026
PNG
((6S,9S,12S,15S)-1-amino-1-imino-12,15-diisobutyl-9...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C23H43N7O6/c1-12(2)10-17(28-15(6)31)21(34)30-18(11-13(3)4)20(33)27-14(5)19(32)29-16(22(35)36)8-7-9-26-23(24)25/h12-14,16-18H,7-11H2,1-6H3,(H,27,33)(H,28,31)(H,29,32)(H,30,34)(H,35,36)(H4,24,25,26)/t14-,16-,17-,18-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B treated for 5 mins before addition of substrate Ac-SHLGLAR-pNA at pH 9.5 by chromogenic assay


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50241352
PNG
(2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[(2S...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C66H99N23O17S2/c1-8-32(6)50(68)63(104)86-46-27-108-107-26-45(62(103)89-53(33(7)90)54(69)95)85-56(97)39(14-11-17-74-66(70)71)80-59(100)43(20-36-24-73-29-78-36)83-58(99)42(19-35-23-72-28-77-35)79-48(92)25-76-55(96)41(18-34-22-75-38-13-10-9-12-37(34)38)82-60(101)44(21-49(93)94)84-57(98)40(15-16-47(67)91)81-64(105)51(30(2)3)88-65(106)52(31(4)5)87-61(46)102/h9-10,12-13,22-24,28-33,39-46,50-53,75,90H,8,11,14-21,25-27,68H2,1-7H3,(H2,67,91)(H2,69,95)(H,72,77)(H,73,78)(H,76,96)(H,79,92)(H,80,100)(H,81,105)(H,82,101)(H,83,99)(H,84,98)(H,85,97)(H,86,104)(H,87,102)(H,88,106)(H,89,103)(H,93,94)(H4,70,71,74)/t32-,33+,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-,52-,53-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human C3/C5 convertase assessed as inhibition of C3 cleavage


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314030
PNG
((6S,9S,12S,18S,21S,24S)-21-((1H-imidazol-5-yl)meth...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C40H61FN12O9/c1-21(2)14-29(52-38(60)32(17-27-18-44-20-47-27)53-37(59)31(49-24(6)54)16-25-9-11-26(41)12-10-25)35(57)46-19-33(55)50-30(15-22(3)4)36(58)48-23(5)34(56)51-28(39(61)62)8-7-13-45-40(42)43/h9-12,18,20-23,28-32H,7-8,13-17,19H2,1-6H3,(H,44,47)(H,46,57)(H,48,58)(H,49,54)(H,50,55)(H,51,56)(H,52,60)(H,53,59)(H,61,62)(H4,42,43,45)/t23-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B treated for 5 mins before addition of substrate Ac-SHLGLAR-pNA at pH 9.5 by chromogenic assay


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314035
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-hydroxy-propiony...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C40H62N14O11/c1-21(2)14-29(52-38(62)31(16-26-17-43-20-46-26)53-39(63)32(19-55)48-24(6)56)35(59)45-18-33(57)50-30(15-22(3)4)37(61)47-23(5)34(58)51-28(8-7-13-44-40(41)42)36(60)49-25-9-11-27(12-10-25)54(64)65/h9-12,17,20-23,28-32,55H,7-8,13-16,18-19H2,1-6H3,(H,43,46)(H,45,59)(H,47,61)(H,48,56)(H,49,60)(H,50,57)(H,51,58)(H,52,62)(H,53,63)(H4,41,42,44)/t23-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B at pH 9.5 by chromogenic assay


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50242426
PNG
(Ac-SHLGLAR-H | CHEMBL504763)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1S/C34H58N12O9/c1-18(2)10-24(45-32(54)26(12-23-13-37-17-40-23)46-33(55)27(16-48)42-21(6)49)30(52)39-14-28(50)44-25(11-19(3)4)31(53)41-20(5)29(51)43-22(15-47)8-7-9-38-34(35)36/h13,15,17-20,22,24-27,48H,7-12,14,16H2,1-6H3,(H,37,40)(H,39,52)(H,41,53)(H,42,49)(H,43,51)(H,44,50)(H,45,54)(H,46,55)(H4,35,36,38)/t20-,22-,24-,25-,26-,27-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B


J Biol Chem 282: 34809-16 (2007)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314034
PNG
((6S,9S,12S,18S,21S,24S)-21-((1H-imidazol-5-yl)meth...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C34H58N12O10/c1-17(2)10-23(45-31(53)25(12-21-13-37-16-40-21)46-32(54)26(15-47)42-20(6)48)29(51)39-14-27(49)43-24(11-18(3)4)30(52)41-19(5)28(50)44-22(33(55)56)8-7-9-38-34(35)36/h13,16-19,22-26,47H,7-12,14-15H2,1-6H3,(H,37,40)(H,39,51)(H,41,52)(H,42,48)(H,43,49)(H,44,50)(H,45,53)(H,46,54)(H,55,56)(H4,35,36,38)/t19-,22-,23-,24-,25-,26-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B treated for 5 mins before addition of substrate Ac-SHLGLAR-pNA at pH 9.5 by chromogenic assay


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314029
PNG
((6S,9S,12S,18S,21S,24S)-21-((1H-imidazol-5-yl)meth...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C40H62N12O9/c1-22(2)15-29(51-38(59)32(18-27-19-43-21-46-27)52-37(58)31(48-25(6)53)17-26-11-8-7-9-12-26)35(56)45-20-33(54)49-30(16-23(3)4)36(57)47-24(5)34(55)50-28(39(60)61)13-10-14-44-40(41)42/h7-9,11-12,19,21-24,28-32H,10,13-18,20H2,1-6H3,(H,43,46)(H,45,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)(H,51,59)(H,52,58)(H,60,61)(H4,41,42,44)/t24-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human complement factor B treated for 5 mins before addition of substrate Ac-SHLGLAR-pNA at pH 9.5 by chromogenic assay


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50314024
PNG
((6S,9S,12S,15S,18S,21S)-21-acetamido-1,26-diamino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C35H66N12O8/c1-18(2)15-25(30(51)42-21(7)28(49)44-24(33(54)55)12-10-14-41-35(38)39)46-32(53)27(17-20(5)6)47-31(52)26(16-19(3)4)45-29(50)23(43-22(8)48)11-9-13-40-34(36)37/h18-21,23-27H,9-17H2,1-8H3,(H,42,51)(H,43,48)(H,44,49)(H,45,50)(H,46,53)(H,47,52)(H,54,55)(H4,36,37,40)(H4,38,39,41)/t21-,23-,24-,25-,26-,27-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human C3 convertase assessed as inhibition of C3a and C3b fragment production at pH 7.4 after 30 mins by SDS-PAGE


J Med Chem 52: 6042-52 (2009)

More data for this
Ligand-Target Pair