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Patent code US10822352

Compile Data Set for Download or QSAR

Found 718 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Complement factor D


(Homo sapiens (Human))
BDBM351990
PNG
(1-(2-((2S,4R)-4-fluoro- 2-(2-fluoro-3- (trifluorom...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(cc12)-c1cncnc1
Show InChI InChI=1S/C26H20F5N7O4/c27-15-7-19(25(41)35-17-2-1-3-20(22(17)28)42-26(29,30)31)37(10-15)21(39)11-38-18-5-4-13(14-8-33-12-34-9-14)6-16(18)23(36-38)24(32)40/h1-6,8-9,12,15,19H,7,10-11H2,(H2,32,40)(H,35,41)/t15-,19+/m1/s1
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Assay Description
Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352001
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C33H26ClF2N5O3/c1-19(42)26-17-40(29-10-9-20(13-25(26)29)21-11-12-37-38-15-21)18-31(43)41-16-22(35)14-30(41)33(44)39-28-8-4-6-24(32(28)36)23-5-2-3-7-27(23)34/h2-13,15,17,22,30H,14,16,18H2,1H3,(H,39,44)/t22-,30+/m1/s1
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Assay Description
Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM352007
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-(pyrrolidin-1- yl)pyr...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(nc1)N1CCCC1
Show InChI InChI=1S/C37H33ClF2N6O3/c1-22(47)29-20-45(32-12-11-23(15-28(29)32)24-17-41-37(42-18-24)44-13-4-5-14-44)21-34(48)46-19-25(39)16-33(46)36(49)43-31-10-6-8-27(35(31)40)26-7-2-3-9-30(26)38/h2-3,6-12,15,17-18,20,25,33H,4-5,13-14,16,19,21H2,1H3,(H,43,49)/t25-,33+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM352488
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(4-(5- fluoropyrimidin-2...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)N1CCN(CC1)c1ncc(F)cn1
Show InChI InChI=1S/C37H33ClF3N7O3/c1-22(49)29-20-47(32-10-9-25(16-28(29)32)45-11-13-46(14-12-45)37-42-17-24(40)18-43-37)21-34(50)48-19-23(39)15-33(48)36(51)44-31-8-4-6-27(35(31)41)26-5-2-3-7-30(26)38/h2-10,16-18,20,23,33H,11-15,19,21H2,1H3,(H,44,51)/t23-,33+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM471760
PNG
(1-(2-((2S,4R)-2-(3- chlorobenzyl- carbamoyl)-4- fl...)
Show SMILES NC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C27H24ClFN6O3/c28-19-3-1-2-16(8-19)11-31-27(38)24-10-20(29)13-35(24)25(36)15-34-14-22(26(30)37)21-9-17(4-5-23(21)34)18-6-7-32-33-12-18/h1-9,12,14,20,24H,10-11,13,15H2,(H2,30,37)(H,31,38)/t20-,24+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354158
PNG
(1-(2-((2S,4R)-2-(3- chloro-5- fluorobenzylcarbamoy...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cc(F)cc(Cl)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H22ClF2N7O3/c27-17-5-14(6-18(28)8-17)10-31-26(39)22-9-19(29)12-35(22)23(37)13-36-21-2-1-15(16-3-4-32-33-11-16)7-20(21)24(34-36)25(30)38/h1-8,11,19,22H,9-10,12-13H2,(H2,30,38)(H,31,39)/t19-,22+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM354162
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Cl)c2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C26H22ClFN6O3/c1-15(35)22-13-33(23-3-2-16(6-21(22)23)17-4-5-30-31-9-17)14-25(36)34-12-19(28)8-24(34)26(37)32-20-7-18(27)10-29-11-20/h2-7,9-11,13,19,24H,8,12,14H2,1H3,(H,32,37)/t19-,24+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354220
PNG
((2S,4R)-1-(2-(5-(2- acetamidopyrimidin-5- yl)-3-ac...)
Show SMILES CC(=O)Nc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(Br)n3)cc(C(C)=O)c2c1
Show InChI InChI=1S/C28H25BrFN7O4/c1-15(38)21-13-36(22-7-6-17(8-20(21)22)18-10-31-28(32-11-18)33-16(2)39)14-26(40)37-12-19(30)9-23(37)27(41)35-25-5-3-4-24(29)34-25/h3-8,10-11,13,19,23H,9,12,14H2,1-2H3,(H,34,35,41)(H,31,32,33,39)/t19-,23+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM354251
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(6-methylpyridazin-3- yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1ccc(C)nn1
Show InChI InChI=1S/C27H24BrFN6O3/c1-15-6-8-21(33-32-15)17-7-9-22-19(10-17)20(16(2)36)13-34(22)14-26(37)35-12-18(29)11-23(35)27(38)31-25-5-3-4-24(28)30-25/h3-10,13,18,23H,11-12,14H2,1-2H3,(H,30,31,38)/t18-,23+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354270
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-hydroxypyrimidin- 5-y...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(O)nc1
Show InChI InChI=1S/C33H26ClF2N5O4/c1-18(42)25-16-40(28-10-9-19(11-24(25)28)20-13-37-33(45)38-14-20)17-30(43)41-15-21(35)12-29(41)32(44)39-27-8-4-6-23(31(27)36)22-5-2-3-7-26(22)34/h2-11,13-14,16,21,29H,12,15,17H2,1H3,(H,39,44)(H,37,38,45)/t21-,29+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM354272
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-(methylamino) pyrimid...)
Show SMILES CNc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c2c1
Show InChI InChI=1S/C34H29ClF2N6O3/c1-19(44)26-17-42(29-11-10-20(12-25(26)29)21-14-39-34(38-2)40-15-21)18-31(45)43-16-22(36)13-30(43)33(46)41-28-9-5-7-24(32(28)37)23-6-3-4-8-27(23)35/h3-12,14-15,17,22,30H,13,16,18H2,1-2H3,(H,41,46)(H,38,39,40)/t22-,30+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM386259
PNG
((1R,3S,5R)-2-(2-(3- acetyl-5-(2- methylpyrimidin-5...)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C34H28ClFN6O3/c1-18(43)33-25-12-20(22-15-37-19(2)38-16-22)10-11-28(25)41(40-33)17-31(44)42-29-13-21(29)14-30(42)34(45)39-27-9-5-7-24(32(27)36)23-6-3-4-8-26(23)35/h3-12,15-16,21,29-30H,13-14,17H2,1-2H3,(H,39,45)/t21-,29-,30+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM386263
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2-(2,2,2- trifluoroethy...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(NCC(F)(F)F)nc1
Show InChI InChI=1S/C35H28ClF5N6O3/c1-19(48)26-16-46(29-10-9-20(11-25(26)29)21-13-42-34(43-14-21)44-18-35(39,40)41)17-31(49)47-15-22(37)12-30(47)33(50)45-28-8-4-6-24(32(28)38)23-5-2-3-7-27(23)36/h2-11,13-14,16,22,30H,12,15,17-18H2,1H3,(H,45,50)(H,42,43,44)/t22-,30+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM386274
PNG
(US10287301, Compound 204 | US10822352, Comp No. 20...)
Show SMILES COC(=O)c1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c2c1
Show InChI InChI=1S/C35H28ClF2N5O5/c1-19(44)26-17-42(29-11-10-20(12-25(26)29)21-14-39-33(40-15-21)35(47)48-2)18-31(45)43-16-22(37)13-30(43)34(46)41-28-9-5-7-24(32(28)38)23-6-3-4-8-27(23)36/h3-12,14-15,17,22,30H,13,16,18H2,1-2H3,(H,41,46)/t22-,30+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM386283
PNG
(5-(3-acetyl-1-(2- ((2S,4R)-2-(6- bromopyridin-2- y...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(nc1)C(N)=O
Show InChI InChI=1S/C27H23BrFN7O4/c1-14(37)19-12-35(20-6-5-15(7-18(19)20)16-9-31-26(25(30)39)32-10-16)13-24(38)36-11-17(29)8-21(36)27(40)34-23-4-2-3-22(28)33-23/h2-7,9-10,12,17,21H,8,11,13H2,1H3,(H2,30,39)(H,33,34,40)/t17-,21+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386288
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- acetylpyrimidin-5- y...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(nc1)C(C)=O
Show InChI InChI=1S/C28H24BrFN6O4/c1-15(37)21-13-35(22-7-6-17(8-20(21)22)18-10-31-27(16(2)38)32-11-18)14-26(39)36-12-19(30)9-23(36)28(40)34-25-5-3-4-24(29)33-25/h3-8,10-11,13,19,23H,9,12,14H2,1-2H3,(H,33,34,40)/t19-,23+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM386289
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- aminopyrimidin-5- yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(N)nc1
Show InChI InChI=1S/C26H23BrFN7O3/c1-14(36)19-12-34(20-6-5-15(7-18(19)20)16-9-30-26(29)31-10-16)13-24(37)35-11-17(28)8-21(35)25(38)33-23-4-2-3-22(27)32-23/h2-7,9-10,12,17,21H,8,11,13H2,1H3,(H2,29,30,31)(H,32,33,38)/t17-,21+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM386290
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- methylpyrimidin-5- y...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C28H23F5N6O4/c1-14(40)26-19-8-16(17-10-34-15(2)35-11-17)6-7-21(19)39(37-26)13-24(41)38-12-18(29)9-22(38)27(42)36-20-4-3-5-23(25(20)30)43-28(31,32)33/h3-8,10-11,18,22H,9,12-13H2,1-2H3,(H,36,42)/t18-,22+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM386296
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- methylpyrimidin-5- y...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C26H23ClFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386299
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- methylpyrimidin-5- y...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2nccc(n2)-c2sccc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C29H24ClFN8O3S/c1-15(40)26-20-9-17(18-11-33-16(2)34-12-18)3-4-23(20)39(37-26)14-25(41)38-13-19(31)10-24(38)28(42)36-29-32-7-5-22(35-29)27-21(30)6-8-43-27/h3-9,11-12,19,24H,10,13-14H2,1-2H3,(H,32,35,36,42)/t19-,24+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386313
PNG
((2S,4R)-1-(2-(3- acetyl-5- (pyrazolo[1,5- a]pyrimi...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1ccn2nccc2n1
Show InChI InChI=1S/C27H22BrFN8O3/c1-15(38)26-18-11-16(19-8-10-36-24(31-19)7-9-30-36)5-6-20(18)37(34-26)14-25(39)35-13-17(29)12-21(35)27(40)33-23-4-2-3-22(28)32-23/h2-11,17,21H,12-14H2,1H3,(H,32,33,40)/t17-,21+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386315
PNG
((2S,4R)-1-(2-(3- acetyl-5-(3- (trifluoromethyl)- 5...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)N1CCn2c(C1)nnc2C(F)(F)F
Show InChI InChI=1S/C27H24BrF4N9O3/c1-14(42)24-17-10-16(38-7-8-39-22(12-38)35-36-26(39)27(30,31)32)5-6-18(17)41(37-24)13-23(43)40-11-15(29)9-19(40)25(44)34-21-4-2-3-20(28)33-21/h2-6,10,15,19H,7-9,11-13H2,1H3,(H,33,34,44)/t15-,19+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386316
PNG
((2S,4R)-1-(2-(3- acetyl-5- (imidazo[1,2- a]pyrimid...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc2ncccn12
Show InChI InChI=1S/C27H22BrFN8O3/c1-15(38)25-18-10-16(21-12-31-27-30-8-3-9-35(21)27)6-7-19(18)37(34-25)14-24(39)36-13-17(29)11-20(36)26(40)33-23-5-2-4-22(28)32-23/h2-10,12,17,20H,11,13-14H2,1H3,(H,32,33,40)/t17-,20+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386333
PNG
((2S,4R)-1-(2-(3- acetyl-5-(3-cyano-2- methylpyrazo...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc2c(C#N)c(C)nn2c1
Show InChI InChI=1S/C29H23BrFN9O3/c1-15-21(10-32)28-33-11-18(12-40(28)36-15)17-6-7-22-20(8-17)27(16(2)41)37-39(22)14-26(42)38-13-19(31)9-23(38)29(43)35-25-5-3-4-24(30)34-25/h3-8,11-12,19,23H,9,13-14H2,1-2H3,(H,34,35,43)/t19-,23+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386352
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- methylpyrazolo[1,5- ...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)F)c2F)c2ccc(cc12)-c1cnc2cc(C)nn2c1
Show InChI InChI=1S/C30H25F4N7O4/c1-15-8-25-35-11-18(12-41(25)37-15)17-6-7-22-20(9-17)28(16(2)42)38-40(22)14-26(43)39-13-19(31)10-23(39)29(44)36-21-4-3-5-24(27(21)32)45-30(33)34/h3-9,11-12,19,23,30H,10,13-14H2,1-2H3,(H,36,44)/t19-,23+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386359
PNG
(6-(3-acetyl-1-(2- ((2S,4R)-2-(6- bromopyridin-2- y...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc2cc(nn2c1)C(N)=O
Show InChI InChI=1S/C28H23BrFN9O4/c1-14(40)26-18-7-15(16-10-32-24-9-19(27(31)42)35-39(24)11-16)5-6-20(18)38(36-26)13-25(41)37-12-17(30)8-21(37)28(43)34-23-4-2-3-22(29)33-23/h2-7,9-11,17,21H,8,12-13H2,1H3,(H2,31,42)(H,33,34,43)/t17-,21+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386360
PNG
(6-(3-acetyl-1-(2- ((2S,4R)-2-(6- bromopyridin-2- y...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc2cc(nn2c1)C(O)=O
Show InChI InChI=1S/C28H22BrFN8O5/c1-14(39)26-18-7-15(16-10-31-24-9-19(28(42)43)34-38(24)11-16)5-6-20(18)37(35-26)13-25(40)36-12-17(30)8-21(36)27(41)33-23-4-2-3-22(29)32-23/h2-7,9-11,17,21H,8,12-13H2,1H3,(H,42,43)(H,32,33,41)/t17-,21+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM472025
PNG
((2S,4R)-1-(2-(3- acetyl-5- (imidazo[1,2- b]pyridaz...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C1=CC2N=CC=[N]2N=C1
Show InChI InChI=1S/C27H23BrFN8O3/c1-15(38)26-19-9-16(17-10-24-30-7-8-36(24)31-12-17)5-6-20(19)37(34-26)14-25(39)35-13-18(29)11-21(35)27(40)33-23-4-2-3-22(28)32-23/h2-10,12,18,21,24H,11,13-14H2,1H3,(H,32,33,40)/t18-,21+,24?/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386393
PNG
((2S,4R)-1-(2-(3- acetyl-5- (pyrazolo[1,5- a]pyrimi...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(cc12)-c1cnc2ccnn2c1
Show InChI InChI=1S/C26H21BrFN9O3/c1-14(38)25-18-6-15(16-8-30-23-4-5-31-37(23)11-16)2-3-19(18)36(34-25)13-24(39)35-12-17(28)7-20(35)26(40)33-22-10-29-9-21(27)32-22/h2-6,8-11,17,20H,7,12-13H2,1H3,(H,32,33,40)/t17-,20+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386409
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- methylpyrimidin- 5-y...)
Show SMILES CNS(=O)(=O)c1ccc(Cl)c(c1)-c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(C)=O)c3cc(ccc23)-c2cnc(C)nc2)c1F
Show InChI InChI=1S/C34H30ClF2N7O5S/c1-18(45)33-26-11-20(21-14-39-19(2)40-15-21)7-10-29(26)44(42-33)17-31(46)43-16-22(36)12-30(43)34(47)41-28-6-4-5-24(32(28)37)25-13-23(8-9-27(25)35)50(48,49)38-3/h4-11,13-15,22,30,38H,12,16-17H2,1-3H3,(H,41,47)/t22-,30+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386416
PNG
((1R,3S,5R)-2-(2- (3-acetyl-5-(2- methylpyrimidin- ...)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C26H23BrN8O3/c1-13(36)25-18-5-15(17-8-29-14(2)30-9-17)3-4-19(18)34(33-25)12-24(37)35-20-6-16(20)7-21(35)26(38)32-23-11-28-10-22(27)31-23/h3-5,8-11,16,20-21H,6-7,12H2,1-2H3,(H,31,32,38)/t16-,20-,21+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386420
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- cyclopropylpyrimidin...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(cc12)-c1cnc(nc1)C1CC1
Show InChI InChI=1S/C27H24BrFN8O3/c1-14(38)25-19-6-16(17-8-31-26(32-9-17)15-2-3-15)4-5-20(19)37(35-25)13-24(39)36-12-18(29)7-21(36)27(40)34-23-11-30-10-22(28)33-23/h4-6,8-11,15,18,21H,2-3,7,12-13H2,1H3,(H,33,34,40)/t18-,21+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386431
PNG
((1R,3S,5R)-2-(2- (3-acetyl-5-(2- methylpyrimidin- ...)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cnc(C)c(Br)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C27H25BrN8O3/c1-13-26(28)32-23(11-29-13)33-27(39)22-8-17-7-21(17)36(22)24(38)12-35-20-5-4-16(18-9-30-15(3)31-10-18)6-19(20)25(34-35)14(2)37/h4-6,9-11,17,21-22H,7-8,12H2,1-3H3,(H,32,33,39)/t17-,21-,22+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386432
PNG
((1R,3S,5R)-2-(2- (3-acetyl-5-(2- methylpyrimidin- ...)
Show SMILES COc1cc(Br)nc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3cc(ccc23)-c2cnc(C)nc2)c1
Show InChI InChI=1S/C28H26BrN7O4/c1-14(37)27-20-6-16(18-11-30-15(2)31-12-18)4-5-21(20)35(34-27)13-26(38)36-22-7-17(22)8-23(36)28(39)33-25-10-19(40-3)9-24(29)32-25/h4-6,9-12,17,22-23H,7-8,13H2,1-3H3,(H,32,33,39)/t17-,22-,23+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386449
PNG
((1S,3S,5R)-2-(2- (3-acetyl-5-(2- methylpyrimidin- ...)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@H]3C[C@@]3(CO)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C28H26BrN7O4/c1-15(38)26-19-8-17(18-11-30-16(2)31-12-18)6-7-20(19)35(34-26)13-25(39)36-21(9-28(14-37)10-22(28)36)27(40)33-24-5-3-4-23(29)32-24/h3-8,11-12,21-22,37H,9-10,13-14H2,1-2H3,(H,32,33,40)/t21-,22-,28+/m0/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386452
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- methylpyrimidin- 5-y...)
Show SMILES COc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(C)=O)c2cc(ccc12)-c1cnc(C)nc1
Show InChI InChI=1S/C27H25BrFN7O4/c1-14(37)25-19-8-16(17-10-30-15(2)31-11-17)4-5-20(19)36(34-25)13-24(38)35-12-18(29)9-21(35)27(39)33-26-22(40-3)6-7-23(28)32-26/h4-8,10-11,18,21H,9,12-13H2,1-3H3,(H,32,33,39)/t18-,21+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386454
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- ethylpyrimidin-5- yl...)
Show SMILES CCc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cncc(Br)n3)nc(C(C)=O)c2c1
Show InChI InChI=1S/C26H24BrFN8O3/c1-3-22-30-8-16(9-31-22)15-4-5-19-18(6-15)25(14(2)37)34-36(19)13-24(38)35-12-17(28)7-20(35)26(39)33-23-11-29-10-21(27)32-23/h4-6,8-11,17,20H,3,7,12-13H2,1-2H3,(H,32,33,39)/t17-,20+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386458
PNG
((1R,3S,5S)-2-(2- (3-acetyl-5-(2- methylpyrimidin- ...)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(CO)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C28H26BrN7O4/c1-15(38)26-19-8-17(18-11-30-16(2)31-12-18)6-7-20(19)35(34-26)13-25(39)36-21(9-28(14-37)10-22(28)36)27(40)33-24-5-3-4-23(29)32-24/h3-8,11-12,21-22,37H,9-10,13-14H2,1-2H3,(H,32,33,40)/t21-,22+,28-/m0/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386423
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- methylpyrimidin- 5-y...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccn(CC(F)(F)F)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C26H24F4N8O3/c1-14(39)24-19-7-16(17-9-31-15(2)32-10-17)3-4-20(19)38(35-24)12-23(40)37-11-18(27)8-21(37)25(41)33-22-5-6-36(34-22)13-26(28,29)30/h3-7,9-10,18,21H,8,11-13H2,1-2H3,(H,33,34,41)/t18-,21+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386482
PNG
((1S,3S,5R)-2-(2- (3-acetyl-5-(2- methylpyrimidin- ...)
Show SMILES COC[C@@]12C[C@@H]1N([C@@H](C2)C(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(C)=O)c2cc(ccc12)-c1cnc(C)nc1
Show InChI InChI=1S/C29H28BrN7O4/c1-16(38)27-20-9-18(19-12-31-17(2)32-13-19)7-8-21(20)36(35-27)14-26(39)37-22(10-29(15-41-3)11-23(29)37)28(40)34-25-6-4-5-24(30)33-25/h4-9,12-13,22-23H,10-11,14-15H2,1-3H3,(H,33,34,40)/t22-,23-,29+/m0/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386509
PNG
((1R,3S,5R)-2-(2- (3-acetyl-5-(2- aminopyrimidin- 5...)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2ccc(cc12)-c1cnc(N)nc1
Show InChI InChI=1S/C27H25BrN8O3/c1-13-3-6-22(28)32-25(13)33-26(39)21-9-16-8-20(16)36(21)23(38)12-35-19-5-4-15(17-10-30-27(29)31-11-17)7-18(19)24(34-35)14(2)37/h3-7,10-11,16,20-21H,8-9,12H2,1-2H3,(H2,29,30,31)(H,32,33,39)/t16-,20-,21+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386522
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- methylpyrimidin- 5-y...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCC2CC2(Cl)Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C25H25Cl2FN6O3/c1-13(35)23-19-5-15(16-8-29-14(2)30-9-16)3-4-20(19)34(32-23)12-22(36)33-11-18(28)6-21(33)24(37)31-10-17-7-25(17,26)27/h3-5,8-9,17-18,21H,6-7,10-12H2,1-2H3,(H,31,37)/t17?,18-,21+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386534
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- methylpyrimidin- 5-y...)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(C)=O)c2cc(ccc12)-c1cnc(C)nc1
Show InChI InChI=1S/C26H28F2N6O3/c1-14(2)21(28)11-31-26(37)23-8-19(27)12-33(23)24(36)13-34-22-6-5-17(18-9-29-16(4)30-10-18)7-20(22)25(32-34)15(3)35/h5-7,9-10,19,23H,8,11-13H2,1-4H3,(H,31,37)/t19-,23+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386535
PNG
((3S,4S)-2-(2-(3- acetyl-5-(2- methylpyrimidin- 5-y...)
Show SMILES CC(=O)c1nn(CC(=O)N2C3CCC(C3)[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C28H26BrN7O3/c1-15(37)26-21-11-17(19-12-30-16(2)31-13-19)7-9-22(21)35(34-26)14-25(38)36-20-8-6-18(10-20)27(36)28(39)33-24-5-3-4-23(29)32-24/h3-5,7,9,11-13,18,20,27H,6,8,10,14H2,1-2H3,(H,32,33,39)/t18?,20?,27-/m0/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386551
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- methylpyrimidin- 5-y...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C25H25Cl2FN6O3/c1-13(35)23-19-5-15(16-8-29-14(2)30-9-16)3-4-20(19)34(32-23)12-22(36)33-11-18(28)6-21(33)24(37)31-10-17-7-25(17,26)27/h3-5,8-9,17-18,21H,6-7,10-12H2,1-2H3,(H,31,37)/t17-,18-,21+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM386579
PNG
((1R,3S,5R)-2-(2- (3-acetyl-5-(2- methylpyrimidin- ...)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC\C(F)=C(\C)c2ccccc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C32H30ClFN6O3/c1-17(23-6-4-5-7-25(23)33)26(34)15-37-32(43)29-12-21-11-28(21)40(29)30(42)16-39-27-9-8-20(22-13-35-19(3)36-14-22)10-24(27)31(38-39)18(2)41/h4-10,13-14,21,28-29H,11-12,15-16H2,1-3H3,(H,37,43)/b26-17+/t21-,28-,29+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386611
PNG
((1R,3S,5R)-2-(2- (3-acetyl-5-(2- methylpyrimidin- ...)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC\C(F)=C(/C)c2ccccc2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C32H31FN6O3/c1-18(21-7-5-4-6-8-21)26(33)16-36-32(42)29-13-23-12-28(23)39(29)30(41)17-38-27-10-9-22(24-14-34-20(3)35-15-24)11-25(27)31(37-38)19(2)40/h4-11,14-15,23,28-29H,12-13,16-17H2,1-3H3,(H,36,42)/b26-18-/t23-,28-,29+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM386617
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- aminopyrimidin- 5-yl...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(cc12)-c1cnc(N)nc1
Show InChI InChI=1S/C27H22F5N7O4/c1-13(40)24-17-7-14(15-9-34-26(33)35-10-15)5-6-19(17)39(37-24)12-22(41)38-11-16(28)8-20(38)25(42)36-18-3-2-4-21(23(18)29)43-27(30,31)32/h2-7,9-10,16,20H,8,11-12H2,1H3,(H,36,42)(H2,33,34,35)/t16-,20+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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


(Homo sapiens (Human))
BDBM386632
PNG
((2S,4R)-1-(2-(3- acetyl-5-(2- methylpyrimidin- 5-y...)
Show SMILES COc1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(C)=O)c3cc(ccc23)-c2cnc(C)nc2)n1
Show InChI InChI=1S/C27H26FN7O4/c1-15(36)26-20-9-17(18-11-29-16(2)30-12-18)7-8-21(20)35(33-26)14-25(37)34-13-19(28)10-22(34)27(38)32-23-5-4-6-24(31-23)39-3/h4-9,11-12,19,22H,10,13-14H2,1-3H3,(H,31,32,38)/t19-,22+/m1/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM386641
PNG
((S)-1-(2-(3- acetyl-5- (quinolin-7-yl)- 1H-indazol...)
Show SMILES CC(=O)c1nn(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(C)n2)c2ccc(cc12)-c1ccc2cccnc2c1
Show InChI InChI=1S/C31H28N6O3/c1-19-6-3-9-28(33-19)34-31(40)27-8-5-15-36(27)29(39)18-37-26-13-12-22(16-24(26)30(35-37)20(2)38)23-11-10-21-7-4-14-32-25(21)17-23/h3-4,6-7,9-14,16-17,27H,5,8,15,18H2,1-2H3,(H,33,34,40)/t27-/m0/s1
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Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various conc...


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