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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Complement factor B'   
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)
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 250n/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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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 600n/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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B (FB) catalytic domain


(Homo sapiens (Human))
BDBM171272
PNG
(1-(2-((1R,3S,5R)-3-(((R)-1-(3-Chloro-2-fluoropheny...)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12)c1cccc(Cl)c1F
Show InChI InChI=1/C23H22ClFN6O3/c1-11(13-3-2-4-15(24)20(13)25)28-23(34)17-8-12-7-16(12)31(17)19(32)10-30-18-9-27-6-5-14(18)21(29-30)22(26)33/h2-6,9,11-12,16-17H,7-8,10H2,1H3,(H2,26,33)(H,28,34)/t11-,12-,16-,17+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Pharma AG



Assay Description
Human CVF-Bb complex (3 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in PBS at pH 7.4, conta...


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B (FB) catalytic domain


(Homo sapiens (Human))
BDBM203865
PNG
(Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...)
Show SMILES COC(=O)c1ccccc1CNC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C22H22F3N3O5/c1-32-20(30)17-9-3-2-6-14(17)13-26-21(31)28-11-5-10-18(28)19(29)27-15-7-4-8-16(12-15)33-22(23,24)25/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,26,31)(H,27,29)/t18-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Pharma AG



Assay Description
Human CVF-Bb complex (3 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in PBS at pH 7.4, conta...


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B (FB) catalytic domain


(Homo sapiens (Human))
BDBM203868
PNG
((S)-N2-benzhydryl-N1-(1-methyl-1H-indol-3-yl)pyrro...)
Show SMILES Cn1cc(NC(=O)N2CCC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)c2ccccc12
Show InChI InChI=1/C28H28N4O2/c1-31-19-23(22-15-8-9-16-24(22)31)29-28(34)32-18-10-17-25(32)27(33)30-26(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-16,19,25-26H,10,17-18H2,1H3,(H,29,34)(H,30,33)/t25-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Pharma AG



Assay Description
Human CVF-Bb complex (3 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in PBS at pH 7.4, conta...


Citation and Details
More data for this
Ligand-Target Pair
Complement factor B (FB) catalytic domain


(Homo sapiens (Human))
BDBM203867
PNG
(3-(((2-Carbamoyl-1H-indol-5-yl)oxy)methyl)benzoic ...)
Show SMILES NC(=O)c1cc2cc(OCc3cccc(c3)C(O)=O)ccc2[nH]1
Show InChI InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Pharma AG



Assay Description
Human CVF-Bb complex (3 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in PBS at pH 7.4, conta...


Citation and Details
More data for this
Ligand-Target Pair