BindingDB logo
myBDB logout

Patent code US9828396

Compile Data Set for Download or QSAR
Found 92 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
Complement factor D


(Homo sapiens (Human))
BDBM360757
PNG
(3-(3-acetyl-1-(2-((2S,4R)-2- (3-chloro-2- fluorobe...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#CC(O)=O
Show InChI InChI=1S/C27H22ClF2N3O5/c1-15(34)20-13-32(22-7-5-16(9-19(20)22)6-8-25(36)37)14-24(35)33-12-18(29)10-23(33)27(38)31-11-17-3-2-4-21(28)26(17)30/h2-5,7,9,13,18,23H,10-12,14H2,1H3,(H,31,38)(H,36,37)/t18-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360760
PNG
((2S,4R)-1-(2-(3-acetyl-5- (pyrimidin-2-ylethynyl)-...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C30H24ClF2N5O3/c1-18(39)23-16-37(25-8-6-19(12-22(23)25)7-9-27-34-10-3-11-35-27)17-28(40)38-15-21(32)13-26(38)30(41)36-14-20-4-2-5-24(31)29(20)33/h2-6,8,10-12,16,21,26H,13-15,17H2,1H3,(H,36,41)/t21-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360773
PNG
(1-(2-((2S,4R)-2-(2'-chloro- 2-fluorobiphenyl-3- yl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C33H24ClF2N7O3/c34-24-7-2-1-5-21(24)22-6-3-8-25(30(22)36)40-33(46)27-16-20(35)17-42(27)29(44)18-43-26-11-9-19(10-12-28-38-13-4-14-39-28)15-23(26)31(41-43)32(37)45/h1-9,11,13-15,20,27H,16-18H2,(H2,37,45)(H,40,46)/t20-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360791
PNG
(1-(2-((2S,4R)-2-(3-chloro-2- fluorobenzylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C28H21ClF3N7O3/c29-20-3-1-2-16(25(20)32)10-36-28(42)22-9-17(30)13-38(22)24(40)14-39-21-6-4-15(8-19(21)26(37-39)27(33)41)5-7-23-34-11-18(31)12-35-23/h1-4,6,8,11-12,17,22H,9-10,13-14H2,(H2,33,41)(H,36,42)/t17-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360794
PNG
(1-(2-((1R,3S,5R)-3-(6- bromopyridin-2- ylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C27H20BrFN8O3/c28-21-2-1-3-23(33-21)34-27(40)20-10-15-9-19(15)37(20)24(38)13-36-18-6-4-14(8-17(18)25(35-36)26(30)39)5-7-22-31-11-16(29)12-32-22/h1-4,6,8,11-12,15,19-20H,9-10,13H2,(H2,30,39)(H,33,34,40)/t15-,19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360801
PNG
(1-(2-((2S,4R)-2-(6-(1H- pyrazol-4-yl)pyridin-2- yl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(n2)-c2cn[nH]c2)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C29H23FN10O3/c30-19-12-23(29(43)37-25-4-1-3-21(36-25)18-13-34-35-14-18)39(15-19)26(41)16-40-22-7-5-17(6-8-24-32-9-2-10-33-24)11-20(22)27(38-40)28(31)42/h1-5,7,9-11,13-14,19,23H,12,15-16H2,(H2,31,42)(H,34,35)(H,36,37,43)/t19-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360804
PNG
(1-(2-((1R,3S,5R)-3-(2'- chloro-2-fluorobiphenyl-3-...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C34H24ClF2N7O3/c35-24-6-2-1-4-21(24)22-5-3-7-25(31(22)37)41-34(47)28-14-19-13-27(19)44(28)30(45)17-43-26-10-8-18(12-23(26)32(42-43)33(38)46)9-11-29-39-15-20(36)16-40-29/h1-8,10,12,15-16,19,27-28H,13-14,17H2,(H2,38,46)(H,41,47)/t19-,27-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360814
PNG
(1-(2-((2S,4R)-2-(2'-chloro- 2,4',5'-trifluorobiphe...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2cc(F)c(F)cc2Cl)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C33H21ClF5N7O3/c34-22-11-24(38)23(37)10-20(22)19-2-1-3-25(30(19)39)43-33(49)27-9-17(35)14-45(27)29(47)15-46-26-6-4-16(8-21(26)31(44-46)32(40)48)5-7-28-41-12-18(36)13-42-28/h1-4,6,8,10-13,17,27H,9,14-15H2,(H2,40,48)(H,43,49)/t17-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360828
PNG
(1-(2-((1R,3S,5R)-3-(6- chloropyridin-2- ylcarbamoy...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(cc12)C#Cc1cccnn1
Show InChI InChI=1S/C27H21ClN8O3/c28-22-4-1-5-23(31-22)32-27(39)21-13-16-12-20(16)36(21)24(37)14-35-19-9-7-15(6-8-17-3-2-10-30-33-17)11-18(19)25(34-35)26(29)38/h1-5,7,9-11,16,20-21H,12-14H2,(H2,29,38)(H,31,32,39)/t16-,20-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360835
PNG
(1-(2-((2S,4R)-2-(6- bromopyrazin-2- ylcarbamoyl)-4...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C25H18BrF2N9O3/c26-19-9-30-10-21(33-19)34-25(40)18-6-14(27)11-36(18)22(38)12-37-17-3-1-13(5-16(17)23(35-37)24(29)39)2-4-20-31-7-15(28)8-32-20/h1,3,5,7-10,14,18H,6,11-12H2,(H2,29,39)(H,33,34,40)/t14-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360765
PNG
((2S,4R)-1-(2-(3-acetyl-5- (phenylethynyl)-1H-indol...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1ccccc1
Show InChI InChI=1S/C32H26ClF2N3O3/c1-20(39)26-18-37(28-13-12-22(14-25(26)28)11-10-21-6-3-2-4-7-21)19-30(40)38-17-24(34)15-29(38)32(41)36-16-23-8-5-9-27(33)31(23)35/h2-9,12-14,18,24,29H,15-17,19H2,1H3,(H,36,41)/t24-,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360793
PNG
((2S,4R)-1-(2-(3-acetyl-5- (pyrimidin-2-ylethynyl)-...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C28H22BrFN6O3/c1-17(37)21-15-35(22-8-6-18(12-20(21)22)7-9-25-31-10-3-11-32-25)16-27(38)36-14-19(30)13-23(36)28(39)34-26-5-2-4-24(29)33-26/h2-6,8,10-12,15,19,23H,13-14,16H2,1H3,(H,33,34,39)/t19-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360805
PNG
(1-(2-((1R,3S,5R)-3-(6- cyclopropylpyridin-2- ylcar...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(n2)C2CC2)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C30H26N8O3/c31-29(40)28-20-13-17(6-10-25-32-11-2-12-33-25)5-9-22(20)37(36-28)16-27(39)38-23-14-19(23)15-24(38)30(41)35-26-4-1-3-21(34-26)18-7-8-18/h1-5,9,11-13,18-19,23-24H,7-8,14-16H2,(H2,31,40)(H,34,35,41)/t19-,23-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360827
PNG
(1-(2-((2S,4R)-2-(6-chloro-5- (trifluoromethyl)pyri...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc(c(Cl)n2)C(F)(F)F)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C27H18ClF5N8O3/c28-24-17(27(31,32)33)3-6-21(37-24)38-26(44)19-8-14(29)11-40(19)22(42)12-41-18-4-1-13(7-16(18)23(39-41)25(34)43)2-5-20-35-9-15(30)10-36-20/h1,3-4,6-7,9-10,14,19H,8,11-12H2,(H2,34,43)(H,37,38,44)/t14-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360841
PNG
((2S,4R)-1-(2-(3-acetyl-5- ((5-fluoropyrimidin-2- y...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C27H20BrF2N7O3/c1-15(38)26-19-9-16(6-8-23-31-11-18(30)12-32-23)5-7-20(19)37(35-26)14-25(39)36-13-17(29)10-21(36)27(40)34-24-4-2-3-22(28)33-24/h2-5,7,9,11-12,17,21H,10,13-14H2,1H3,(H,33,34,40)/t17-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360756
PNG
((2S,4R)-1-(2-(3-acetyl-6- ((4-amino-2-oxo-1,2- dih...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C#Cc1c[nH]c(=O)nc1N
Show InChI InChI=1S/C30H25ClF2N6O4/c1-16(40)22-14-38(24-9-17(6-8-21(22)24)5-7-19-12-36-30(43)37-28(19)34)15-26(41)39-13-20(32)10-25(39)29(42)35-11-18-3-2-4-23(31)27(18)33/h2-4,6,8-9,12,14,20,25H,10-11,13,15H2,1H3,(H,35,42)(H3,34,36,37,43)/t20-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360759
PNG
((2S,4R)-1-(2-(3-acetyl-5-(3- (ethylsulfonamido)-3-...)
Show SMILES CCS(=O)(=O)NC(=O)C#Cc1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)cc(C(C)=O)c2c1
Show InChI InChI=1S/C29H27ClF2N4O6S/c1-3-43(41,42)34-26(38)10-8-18-7-9-24-21(11-18)22(17(2)37)15-35(24)16-27(39)36-14-20(31)12-25(36)29(40)33-13-19-5-4-6-23(30)28(19)32/h4-7,9,11,15,20,25H,3,12-14,16H2,1-2H3,(H,33,40)(H,34,38)/t20-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360767
PNG
((2S,4R)-1-(2-(3-acetyl-5- (pyrimidin-5-ylethynyl)-...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1cncnc1
Show InChI InChI=1S/C30H24ClF2N5O3/c1-18(39)24-15-37(26-8-7-19(9-23(24)26)5-6-20-11-34-17-35-12-20)16-28(40)38-14-22(32)10-27(38)30(41)36-13-21-3-2-4-25(31)29(21)33/h2-4,7-9,11-12,15,17,22,27H,10,13-14,16H2,1H3,(H,36,41)/t22-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360770
PNG
((2S,4R)-1-(2-(3-acetyl-5- (pyridin-2-ylethynyl)-1H...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1ccccn1
Show InChI InChI=1S/C31H25ClF2N4O3/c1-19(39)25-17-37(27-11-9-20(13-24(25)27)8-10-23-6-2-3-12-35-23)18-29(40)38-16-22(33)14-28(38)31(41)36-15-21-5-4-7-26(32)30(21)34/h2-7,9,11-13,17,22,28H,14-16,18H2,1H3,(H,36,41)/t22-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360774
PNG
(1-(2-((2S,4R)-2-(3-chloro-2- fluorobenzylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1ccccn1
Show InChI InChI=1S/C29H23ClF2N6O3/c30-22-6-3-4-18(26(22)32)14-35-29(41)24-13-19(31)15-37(24)25(39)16-38-23-10-8-17(7-9-20-5-1-2-11-34-20)12-21(23)27(36-38)28(33)40/h1-6,8,10-12,19,24H,13-16H2,(H2,33,40)(H,35,41)/t19-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360787
PNG
(5-((6-aminopyridin-2- yl)ethynyl)-1-(2-((2S,4R)-2-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1cccc(N)n1
Show InChI InChI=1S/C29H24ClF2N7O3/c30-21-5-1-3-17(26(21)32)13-35-29(42)23-12-18(31)14-38(23)25(40)15-39-22-10-8-16(11-20(22)27(37-39)28(34)41)7-9-19-4-2-6-24(33)36-19/h1-6,8,10-11,18,23H,12-15H2,(H2,33,36)(H2,34,41)(H,35,42)/t18-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360798
PNG
(1-(2-((2S,4R)-2-(6-(2- chlorophenyl)pyridin-2- ylc...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(n2)-c2ccccc2Cl)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C32H24ClFN8O3/c33-23-6-2-1-5-21(23)24-7-3-8-28(38-24)39-32(45)26-16-20(34)17-41(26)29(43)18-42-25-11-9-19(10-12-27-36-13-4-14-37-27)15-22(25)30(40-42)31(35)44/h1-9,11,13-15,20,26H,16-18H2,(H2,35,44)(H,38,39,45)/t20-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360799
PNG
(1-(2-((2S,4R)-2-(6- bromopyridin-2- ylcarbamoyl)-4...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C#Cc1ccccn1
Show InChI InChI=1S/C27H21BrFN7O3/c28-22-5-3-6-23(32-22)33-27(39)21-13-17(29)14-35(21)24(37)15-36-20-10-8-16(7-9-18-4-1-2-11-31-18)12-19(20)25(34-36)26(30)38/h1-6,8,10-12,17,21H,13-15H2,(H2,30,38)(H,32,33,39)/t17-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360803
PNG
(1-(2-((2S,3R)-2-(3-chloro-2- fluorobenzylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2CC[C@@H](O)[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C28H23ClFN7O4/c29-19-4-1-3-17(24(19)30)14-34-28(41)26-21(38)9-12-36(26)23(39)15-37-20-7-5-16(6-8-22-32-10-2-11-33-22)13-18(20)25(35-37)27(31)40/h1-5,7,10-11,13,21,26,38H,9,12,14-15H2,(H2,31,40)(H,34,41)/t21-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360810
PNG
(1-(2-((1R,3S,5R)-3-(6- bromopyridin-2- ylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C#Cc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C29H21BrF3N7O3/c30-23-2-1-3-24(36-23)37-28(43)22-12-16-11-21(16)40(22)25(41)14-39-20-9-5-15(10-19(20)26(38-39)27(34)42)4-7-18-8-6-17(13-35-18)29(31,32)33/h1-3,5-6,8-10,13,16,21-22H,11-12,14H2,(H2,34,42)(H,36,37,43)/t16-,21-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360815
PNG
(1-(2-((1R,3S,5R)-3-(2'- chloro-2,4'- difluorobiphe...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)-c2ccc(F)cc2Cl)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C34H23ClF3N7O3/c35-24-13-19(36)6-7-21(24)22-2-1-3-25(31(22)38)42-34(48)28-12-18-11-27(18)45(28)30(46)16-44-26-8-4-17(10-23(26)32(43-44)33(39)47)5-9-29-40-14-20(37)15-41-29/h1-4,6-8,10,13-15,18,27-28H,11-12,16H2,(H2,39,47)(H,42,48)/t18-,27-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360817
PNG
((S)-3-(2-(3-carbamoyl-5- (pyrimidin-2-ylethynyl)-1...)
Show SMILES NC(=O)c1nn(CC(=O)N2CCS[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C32H23ClFN7O3S/c33-23-7-2-1-5-20(23)21-6-3-8-24(28(21)34)38-31(44)32-40(15-16-45-32)27(42)18-41-25-11-9-19(10-12-26-36-13-4-14-37-26)17-22(25)29(39-41)30(35)43/h1-9,11,13-14,17,32H,15-16,18H2,(H2,35,43)(H,38,44)/t32-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360819
PNG
(1-(2-((2S,4R)-2-(5- bromopyridin-3- ylcarbamoyl)-4...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Br)c2)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C26H19BrF2N8O3/c27-15-6-18(11-31-8-15)34-26(40)21-7-16(28)12-36(21)23(38)13-37-20-3-1-14(5-19(20)24(35-37)25(30)39)2-4-22-32-9-17(29)10-33-22/h1,3,5-6,8-11,16,21H,7,12-13H2,(H2,30,39)(H,34,40)/t16-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360821
PNG
(1-(2-((2S,4R)-4-fluoro-2-(6- (trifluoromethyl)pyra...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(n2)C(F)(F)F)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C26H18F5N9O3/c27-14-6-18(25(43)37-21-10-33-9-19(36-21)26(29,30)31)39(11-14)22(41)12-40-17-3-1-13(5-16(17)23(38-40)24(32)42)2-4-20-34-7-15(28)8-35-20/h1,3,5,7-10,14,18H,6,11-12H2,(H2,32,42)(H,36,37,43)/t14-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360822
PNG
(1-(2-((2S,4R)-2-(8- chloroquinolin-2- ylcarbamoyl)...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc3cccc(Cl)c3n2)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C30H21ClF2N8O3/c31-21-3-1-2-17-6-9-25(37-27(17)21)38-30(44)23-11-18(32)14-40(23)26(42)15-41-22-7-4-16(10-20(22)28(39-41)29(34)43)5-8-24-35-12-19(33)13-36-24/h1-4,6-7,9-10,12-13,18,23H,11,14-15H2,(H2,34,43)(H,37,38,44)/t18-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360825
PNG
(1-(2-((2S,4R)-2-(6-chloro-4- (trifluoromethyl)pyri...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cc(cc(Cl)n2)C(F)(F)F)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C27H18ClF5N8O3/c28-20-6-14(27(31,32)33)7-22(37-20)38-26(44)19-8-15(29)11-40(19)23(42)12-41-18-3-1-13(5-17(18)24(39-41)25(34)43)2-4-21-35-9-16(30)10-36-21/h1,3,5-7,9-10,15,19H,8,11-12H2,(H2,34,43)(H,37,38,44)/t15-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360752
PNG
((2S,4R)-1-(2-(3-acetyl-6- ethynyl-1H-indol-1- yl)a...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C#C
Show InChI InChI=1S/C26H22ClF2N3O3/c1-3-16-7-8-19-20(15(2)33)13-31(22(19)9-16)14-24(34)32-12-18(28)10-23(32)26(35)30-11-17-5-4-6-21(27)25(17)29/h1,4-9,13,18,23H,10-12,14H2,2H3,(H,30,35)/t18-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360785
PNG
(1-(2-((1R,3S,5R)-3-(2- fluoro-3- (trifluoromethoxy...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C29H21F4N7O4/c30-25-18(3-1-4-22(25)44-29(31,32)33)37-28(43)21-13-16-12-20(16)40(21)24(41)14-39-19-7-5-15(6-8-23-35-9-2-10-36-23)11-17(19)26(38-39)27(34)42/h1-5,7,9-11,16,20-21H,12-14H2,(H2,34,42)(H,37,43)/t16-,20-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360790
PNG
(1-(2-((2S,4R)-2-(6- bromopyridin-2- ylcarbamoyl)-4...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C26H20BrFN8O3/c27-20-3-1-4-22(32-20)33-26(39)19-12-16(28)13-35(19)23(37)14-36-18-7-5-15(6-8-21-30-9-2-10-31-21)11-17(18)24(34-36)25(29)38/h1-5,7,9-11,16,19H,12-14H2,(H2,29,38)(H,32,33,39)/t16-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360812
PNG
(1-(2-((1R,3S,5R)-3-(6- bromopyridin-2- ylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C#Cc1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C28H20BrF3N8O3/c29-21-2-1-3-23(36-21)37-27(43)20-10-15-9-19(15)40(20)24(41)13-39-18-6-4-14(8-17(18)25(38-39)26(33)42)5-7-22-34-11-16(12-35-22)28(30,31)32/h1-4,6,8,11-12,15,19-20H,9-10,13H2,(H2,33,42)(H,36,37,43)/t15-,19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360813
PNG
(1-(2-((1R,3S,5R)-3-(6- fluoropyridin-2- ylcarbamoy...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(F)n2)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C27H21FN8O3/c28-21-3-1-4-23(32-21)33-27(39)20-13-16-12-19(16)36(20)24(37)14-35-18-7-5-15(6-8-22-30-9-2-10-31-22)11-17(18)25(34-35)26(29)38/h1-5,7,9-11,16,19-20H,12-14H2,(H2,29,38)(H,32,33,39)/t16-,19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360824
PNG
(1-(2-((2S,4R)-2-(2'-chloro- 2-fluorobiphenyl-3- yl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)C#Cc1cccnn1
Show InChI InChI=1S/C33H24ClF2N7O3/c34-25-8-2-1-6-22(25)23-7-3-9-26(30(23)36)39-33(46)28-16-20(35)17-42(28)29(44)18-43-27-13-11-19(10-12-21-5-4-14-38-40-21)15-24(27)31(41-43)32(37)45/h1-9,11,13-15,20,28H,16-18H2,(H2,37,45)(H,39,46)/t20-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360832
PNG
(1-(2-((2S,4R)-2-(6-chloro-3- fluoropyridin-2- ylca...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2nc(Br)ccc2F)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C26H18BrF3N8O3/c27-20-5-3-17(30)25(34-20)35-26(41)19-8-14(28)11-37(19)22(39)12-38-18-4-1-13(7-16(18)23(36-38)24(31)40)2-6-21-32-9-15(29)10-33-21/h1,3-5,7,9-10,14,19H,8,11-12H2,(H2,31,40)(H,34,35,41)/t14-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360834
PNG
(1-(2-((2S,4R)-2-(2'-chloro- 2-fluorobiphenyl-3- yl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)C#Cc1cnccn1
Show InChI InChI=1S/C33H24ClF2N7O3/c34-25-6-2-1-4-22(25)23-5-3-7-26(30(23)36)40-33(46)28-15-20(35)17-42(28)29(44)18-43-27-11-9-19(8-10-21-16-38-12-13-39-21)14-24(27)31(41-43)32(37)45/h1-7,9,11-14,16,20,28H,15,17-18H2,(H2,37,45)(H,40,46)/t20-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360766
PNG
(1-(2-((2S,4R)-2-(3-ethynyl- 2-fluorophenylcarbamoy...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(C#C)c2F)c2cnccc12
Show InChI InChI=1S/C22H18F2N6O3/c1-2-12-4-3-5-15(19(12)24)27-22(33)16-8-13(23)10-29(16)18(31)11-30-17-9-26-7-6-14(17)20(28-30)21(25)32/h1,3-7,9,13,16H,8,10-11H2,(H2,25,32)(H,27,33)/t13-,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360771
PNG
(1-(2-((2S,4R)-2-(3-chloro-2- fluorobenzylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C28H22ClF2N7O3/c29-20-4-1-3-17(25(20)31)13-35-28(41)22-12-18(30)14-37(22)24(39)15-38-21-7-5-16(6-8-23-33-9-2-10-34-23)11-19(21)26(36-38)27(32)40/h1-5,7,9-11,18,22H,12-15H2,(H2,32,40)(H,35,41)/t18-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360772
PNG
((1R,3S,5R)-2-(2-(3-acetyl-5- (pyrimidin-2-ylethyny...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C29H23BrN6O3/c1-17(37)21-15-35(22-8-6-18(12-20(21)22)7-9-26-31-10-3-11-32-26)16-28(38)36-23-13-19(23)14-24(36)29(39)34-27-5-2-4-25(30)33-27/h2-6,8,10-12,15,19,23-24H,13-14,16H2,1H3,(H,33,34,39)/t19-,23-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360777
PNG
((2S,4R)-1-(2-(3-acetyl-5- (pyrazin-2-ylethynyl)-1H...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1cnccn1
Show InChI InChI=1S/C30H24ClF2N5O3/c1-18(39)24-16-37(26-8-6-19(11-23(24)26)5-7-22-14-34-9-10-35-22)17-28(40)38-15-21(32)12-27(38)30(41)36-13-20-3-2-4-25(31)29(20)33/h2-4,6,8-11,14,16,21,27H,12-13,15,17H2,1H3,(H,36,41)/t21-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360779
PNG
(1-(2-((2S,4R)-2-(3-(3- chloropyridin-2-yl)-2- fluo...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ncccc2Cl)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C32H23ClF2N8O3/c33-22-5-2-11-39-29(22)20-4-1-6-23(28(20)35)40-32(46)25-15-19(34)16-42(25)27(44)17-43-24-9-7-18(8-10-26-37-12-3-13-38-26)14-21(24)30(41-43)31(36)45/h1-7,9,11-14,19,25H,15-17H2,(H2,36,45)(H,40,46)/t19-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360780
PNG
(5-((1H-pyrazol-4- yl)ethynyl)-1-(2-((2S,4R)-2- (3-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1cn[nH]c1
Show InChI InChI=1S/C27H22ClF2N7O3/c28-20-3-1-2-17(24(20)30)12-32-27(40)22-9-18(29)13-36(22)23(38)14-37-21-7-6-15(4-5-16-10-33-34-11-16)8-19(21)25(35-37)26(31)39/h1-3,6-8,10-11,18,22H,9,12-14H2,(H2,31,39)(H,32,40)(H,33,34)/t18-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360795
PNG
(1-(2-((2S,4R)-2-(3,3- dimethylcyclohexylcarbamoyl)...)
Show SMILES CC1(C)CCCC(C1)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2cc(ccc12)C#Cc1ncccn1
Show InChI InChI=1S/C29H32FN7O3/c1-29(2)10-3-5-20(15-29)34-28(40)23-14-19(30)16-36(23)25(38)17-37-22-8-6-18(7-9-24-32-11-4-12-33-24)13-21(22)26(35-37)27(31)39/h4,6,8,11-13,19-20,23H,3,5,10,14-17H2,1-2H3,(H2,31,39)(H,34,40)/t19-,20?,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360800
PNG
(1-(2-((2S,4R)-2-(2'-chloro- 2,4'-difluorobiphenyl-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccc(F)cc2Cl)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C33H23ClF3N7O3/c34-24-14-19(35)7-8-21(24)22-3-1-4-25(30(22)37)41-33(47)27-15-20(36)16-43(27)29(45)17-44-26-9-5-18(6-10-28-39-11-2-12-40-28)13-23(26)31(42-44)32(38)46/h1-5,7-9,11-14,20,27H,15-17H2,(H2,38,46)(H,41,47)/t20-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360808
PNG
(1-(2-((1R,3S,5R)-3-(6- cyanopyridin-2- ylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(n2)C#N)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C28H21N9O3/c29-14-18-3-1-4-24(33-18)34-28(40)22-13-17-12-21(17)37(22)25(38)15-36-20-7-5-16(6-8-23-31-9-2-10-32-23)11-19(20)26(35-36)27(30)39/h1-5,7,9-11,17,21-22H,12-13,15H2,(H2,30,39)(H,33,34,40)/t17-,21-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360809
PNG
(1-(2-((1R,3S,5R)-3-(6- bromopyridin-2- ylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C#Cc1ccc(F)cn1
Show InChI InChI=1S/C28H21BrFN7O3/c29-23-2-1-3-24(33-23)34-28(40)22-12-16-11-21(16)37(22)25(38)14-36-20-9-5-15(10-19(20)26(35-36)27(31)39)4-7-18-8-6-17(30)13-32-18/h1-3,5-6,8-10,13,16,21-22H,11-12,14H2,(H2,31,39)(H,33,34,40)/t16-,21-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360811
PNG
(1-(2-((1R,3S,5R)-3-(6- bromopyridin-2- ylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C29H21BrN8O3/c30-24-2-1-3-25(34-24)35-29(41)23-12-18-11-22(18)38(23)26(39)15-37-21-9-6-16(10-20(21)27(36-37)28(32)40)4-7-19-8-5-17(13-31)14-33-19/h1-3,5-6,8-10,14,18,22-23H,11-12,15H2,(H2,32,40)(H,34,35,41)/t18-,22-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360818
PNG
(1-(2-((2S,4R)-2-(3-chloro-2- fluorobenzylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnc(cc12)C#Cc1ccccc1
Show InChI InChI=1S/C29H23ClF2N6O3/c30-22-8-4-7-18(26(22)32)13-35-29(41)23-11-19(31)15-37(23)25(39)16-38-24-14-34-20(10-9-17-5-2-1-3-6-17)12-21(24)27(36-38)28(33)40/h1-8,12,14,19,23H,11,13,15-16H2,(H2,33,40)(H,35,41)/t19-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360831
PNG
(1-(2-((2S,4R)-2-(6- chloropyridin-2- ylcarbamoyl)-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(cc12)C#Cc1ccnnc1
Show InChI InChI=1S/C26H20ClFN8O3/c27-21-2-1-3-22(32-21)33-26(39)20-11-17(28)13-35(20)23(37)14-36-19-7-6-15(4-5-16-8-9-30-31-12-16)10-18(19)24(34-36)25(29)38/h1-3,6-10,12,17,20H,11,13-14H2,(H2,29,38)(H,32,33,39)/t17-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360837
PNG
(1-(2-((2S,4R)-2-(6-(2- chloro-6- fluorophenyl)pyra...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(n2)-c2c(F)cccc2Cl)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C31H21ClF3N9O3/c32-20-2-1-3-21(35)28(20)22-12-37-13-26(40-22)41-31(47)24-9-17(33)14-43(24)27(45)15-44-23-6-4-16(8-19(23)29(42-44)30(36)46)5-7-25-38-10-18(34)11-39-25/h1-4,6,8,10-13,17,24H,9,14-15H2,(H2,36,46)(H,40,41,47)/t17-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360839
PNG
(1-(2-((2S,4R)-2-(6- chloropyridin-2- ylcarbamoyl)-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C26H19ClF2N8O3/c27-20-2-1-3-22(33-20)34-26(40)19-9-15(28)12-36(19)23(38)13-37-18-6-4-14(8-17(18)24(35-37)25(30)39)5-7-21-31-10-16(29)11-32-21/h1-4,6,8,10-11,15,19H,9,12-13H2,(H2,30,39)(H,33,34,40)/t15-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360840
PNG
(1-(2-((2S,4R)-2-(6- bromopyrazin-2- ylcarbamoyl)-4...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(cc12)C#Cc1cnccn1
Show InChI InChI=1S/C25H19BrFN9O3/c26-20-10-30-11-21(32-20)33-25(39)19-8-15(27)12-35(19)22(37)13-36-18-4-2-14(1-3-16-9-29-5-6-31-16)7-17(18)23(34-36)24(28)38/h2,4-7,9-11,15,19H,8,12-13H2,(H2,28,38)(H,32,33,39)/t15-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360753
PNG
(3-(3-acetyl-1-(2-((2S,4R)-2- (3-chloro-2- fluorobe...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C#CC(O)=O
Show InChI InChI=1S/C27H22ClF2N3O5/c1-15(34)20-13-32(22-9-16(5-7-19(20)22)6-8-25(36)37)14-24(35)33-12-18(29)10-23(33)27(38)31-11-17-3-2-4-21(28)26(17)30/h2-5,7,9,13,18,23H,10-12,14H2,1H3,(H,31,38)(H,36,37)/t18-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360754
PNG
((2S,4R)-1-(2-(3-acetyl-6- ((trimethylsilyl)ethynyl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)C#C[Si](C)(C)C
Show InChI InChI=1S/C29H30ClF2N3O3Si/c1-18(36)23-16-34(25-12-19(8-9-22(23)25)10-11-39(2,3)4)17-27(37)35-15-21(31)13-26(35)29(38)33-14-20-6-5-7-24(30)28(20)32/h5-9,12,16,21,26H,13-15,17H2,1-4H3,(H,33,38)/t21-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360755
PNG
(US9828396, Compound 4 | methyl 3-(3-acetyl-1-(2- (...)
Show SMILES COC(=O)C#Cc1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C28H24ClF2N3O5/c1-16(35)21-14-33(23-10-17(6-8-20(21)23)7-9-26(37)39-2)15-25(36)34-13-19(30)11-24(34)28(38)32-12-18-4-3-5-22(29)27(18)31/h3-6,8,10,14,19,24H,11-13,15H2,1-2H3,(H,32,38)/t19-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360758
PNG
((2S,4R)-1-(2-(3-acetyl-5- ((4-amino-2-oxo-1,2- dih...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1c[nH]c(=O)nc1N
Show InChI InChI=1S/C30H25ClF2N6O4/c1-16(40)22-14-38(24-8-6-17(9-21(22)24)5-7-19-12-36-30(43)37-28(19)34)15-26(41)39-13-20(32)10-25(39)29(42)35-11-18-3-2-4-23(31)27(18)33/h2-4,6,8-9,12,14,20,25H,10-11,13,15H2,1H3,(H,35,42)(H3,34,36,37,43)/t20-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360764
PNG
((2S,4R)-1-(2-(3-acetyl-5- ((5-hydroxypyrimidin-2- ...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1ncc(O)cn1
Show InChI InChI=1S/C30H24ClF2N5O4/c1-17(39)23-15-37(25-7-5-18(9-22(23)25)6-8-27-34-12-21(40)13-35-27)16-28(41)38-14-20(32)10-26(38)30(42)36-11-19-3-2-4-24(31)29(19)33/h2-5,7,9,12-13,15,20,26,40H,10-11,14,16H2,1H3,(H,36,42)/t20-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360776
PNG
(1-(2-((2S,4R)-2-(3-chloro-2- fluorophenylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C27H20ClF2N7O3/c28-18-3-1-4-19(24(18)30)34-27(40)21-12-16(29)13-36(21)23(38)14-37-20-7-5-15(6-8-22-32-9-2-10-33-22)11-17(20)25(35-37)26(31)39/h1-5,7,9-11,16,21H,12-14H2,(H2,31,39)(H,34,40)/t16-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360778
PNG
(1-(2-((1R,3S,5R)-3-(2' chloro-2-fluorobiphenyl-3- ...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C34H25ClFN7O3/c35-24-7-2-1-5-21(24)22-6-3-8-25(31(22)36)40-34(46)28-17-20-16-27(20)43(28)30(44)18-42-26-11-9-19(10-12-29-38-13-4-14-39-29)15-23(26)32(41-42)33(37)45/h1-9,11,13-15,20,27-28H,16-18H2,(H2,37,45)(H,40,46)/t20-,27-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360781
PNG
(1-(2-((2S,4R)-2-(3'-chloro- 2-fluorobiphenyl-3- yl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3cccc(Cl)c3)c2F)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C33H24ClF2N7O3/c34-21-5-1-4-20(15-21)23-6-2-7-25(30(23)36)40-33(46)27-16-22(35)17-42(27)29(44)18-43-26-10-8-19(9-11-28-38-12-3-13-39-28)14-24(26)31(41-43)32(37)45/h1-8,10,12-15,22,27H,16-18H2,(H2,37,45)(H,40,46)/t22-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360784
PNG
(1-(2-((2S,4R)-4-fluoro-2-(6- (trifluoromethyl)pyri...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(n2)C(F)(F)F)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C27H20F4N8O3/c28-16-12-19(26(42)36-22-4-1-3-20(35-22)27(29,30)31)38(13-16)23(40)14-39-18-7-5-15(6-8-21-33-9-2-10-34-21)11-17(18)24(37-39)25(32)41/h1-5,7,9-11,16,19H,12-14H2,(H2,32,41)(H,35,36,42)/t16-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360786
PNG
(1-(2-((2S,4R)-2-(3-chloro-2- fluorobenzylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1ccc(F)cn1
Show InChI InChI=1S/C29H22ClF3N6O3/c30-22-3-1-2-17(26(22)33)12-36-29(42)24-11-19(32)14-38(24)25(40)15-39-23-9-5-16(10-21(23)27(37-39)28(34)41)4-7-20-8-6-18(31)13-35-20/h1-3,5-6,8-10,13,19,24H,11-12,14-15H2,(H2,34,41)(H,36,42)/t19-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360789
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)C#Cc1ncccn1
Show InChI InChI=1S/C28H20F5N7O4/c29-16-12-20(27(43)37-18-3-1-4-21(24(18)30)44-28(31,32)33)39(13-16)23(41)14-40-19-7-5-15(6-8-22-35-9-2-10-36-22)11-17(19)25(38-40)26(34)42/h1-5,7,9-11,16,20H,12-14H2,(H2,34,42)(H,37,43)/t16-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360796
PNG
(1-(2-((2S,4R)-4-fluoro-2-(2- fluoro-3-methylbut-2-...)
Show SMILES CC(C)=C(F)CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2cc(ccc12)C#Cc1ncccn1
Show InChI InChI=1S/C26H25F2N7O3/c1-15(2)19(28)12-32-26(38)21-11-17(27)13-34(21)23(36)14-35-20-6-4-16(5-7-22-30-8-3-9-31-22)10-18(20)24(33-35)25(29)37/h3-4,6,8-10,17,21H,11-14H2,1-2H3,(H2,29,37)(H,32,38)/t17-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360833
PNG
(1-(2-((2S,4R)-2-(6- chloropyridin-2- ylcarbamoyl)-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(cc12)C#Cc1cnccn1
Show InChI InChI=1S/C26H20ClFN8O3/c27-21-2-1-3-22(32-21)33-26(39)20-11-16(28)13-35(20)23(37)14-36-19-7-5-15(4-6-17-12-30-8-9-31-17)10-18(19)24(34-36)25(29)38/h1-3,5,7-10,12,16,20H,11,13-14H2,(H2,29,38)(H,32,33,39)/t16-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360836
PNG
(1-(2-((2S,4R)-2-(6-(2- chlorophenyl)pyrazin-2- ylc...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(n2)-c2ccccc2Cl)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C31H22ClF2N9O3/c32-22-4-2-1-3-20(22)23-13-36-14-27(39-23)40-31(46)25-10-18(33)15-42(25)28(44)16-43-24-7-5-17(9-21(24)29(41-43)30(35)45)6-8-26-37-11-19(34)12-38-26/h1-5,7,9,11-14,18,25H,10,15-16H2,(H2,35,45)(H,39,40,46)/t18-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360843
PNG
(1-(2-((2S,4R)-2-(6- bromopyridin-2- ylcarbamoyl)-4...)
Show SMILES COc1ncc(cn1)C#Cc1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(Br)n3)nc(C(N)=O)c2c1
Show InChI InChI=1S/C27H22BrFN8O4/c1-41-27-31-11-16(12-32-27)6-5-15-7-8-19-18(9-15)24(25(30)39)35-37(19)14-23(38)36-13-17(29)10-20(36)26(40)34-22-4-2-3-21(28)33-22/h2-4,7-9,11-12,17,20H,10,13-14H2,1H3,(H2,30,39)(H,33,34,40)/t17-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360768
PNG
((2S,4R)-1-(2-(3-acetyl-5- (pyridin-4-ylethynyl)-1H...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1ccncc1
Show InChI InChI=1S/C31H25ClF2N4O3/c1-19(39)25-17-37(27-8-7-21(13-24(25)27)6-5-20-9-11-35-12-10-20)18-29(40)38-16-23(33)14-28(38)31(41)36-15-22-3-2-4-26(32)30(22)34/h2-4,7-13,17,23,28H,14-16,18H2,1H3,(H,36,41)/t23-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360788
PNG
(1-(2-((2S,4R)-2-(3-chloro-2- fluorobenzylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1cccc(F)n1
Show InChI InChI=1S/C29H22ClF3N6O3/c30-21-5-1-3-17(26(21)33)13-35-29(42)23-12-18(31)14-38(23)25(40)15-39-22-10-8-16(11-20(22)27(37-39)28(34)41)7-9-19-4-2-6-24(32)36-19/h1-6,8,10-11,18,23H,12-15H2,(H2,34,41)(H,35,42)/t18-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360792
PNG
(1-(2-((1R,3S,5R)-3-(6- bromopyridin-2- ylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C27H21BrN8O3/c28-21-3-1-4-23(32-21)33-27(39)20-13-16-12-19(16)36(20)24(37)14-35-18-7-5-15(6-8-22-30-9-2-10-31-22)11-17(18)25(34-35)26(29)38/h1-5,7,9-11,16,19-20H,12-14H2,(H2,29,38)(H,32,33,39)/t16-,19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360797
PNG
(1-(2-((2S,4R)-2-(6- bromopyridin-2- ylcarbamoyl)-4...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C26H19BrF2N8O3/c27-20-2-1-3-22(33-20)34-26(40)19-9-15(28)12-36(19)23(38)13-37-18-6-4-14(8-17(18)24(35-37)25(30)39)5-7-21-31-10-16(29)11-32-21/h1-4,6,8,10-11,15,19H,9,12-13H2,(H2,30,39)(H,33,34,40)/t15-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360806
PNG
(1-(2-((2S,4R)-2-(2'-chloro- 2-fluorobiphenyl-3- yl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C33H23ClF3N7O3/c34-24-6-2-1-4-21(24)22-5-3-7-25(30(22)37)41-33(47)27-13-19(35)16-43(27)29(45)17-44-26-10-8-18(12-23(26)31(42-44)32(38)46)9-11-28-39-14-20(36)15-40-28/h1-8,10,12,14-15,19,27H,13,16-17H2,(H2,38,46)(H,41,47)/t19-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360816
PNG
(1-(2-((1R,3S,5R)-3-(6- bromopyridin-2- ylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C#Cc1cc(F)ccn1
Show InChI InChI=1S/C28H21BrFN7O3/c29-23-2-1-3-24(33-23)34-28(40)22-12-16-11-21(16)37(22)25(38)14-36-20-7-5-15(10-19(20)26(35-36)27(31)39)4-6-18-13-17(30)8-9-32-18/h1-3,5,7-10,13,16,21-22H,11-12,14H2,(H2,31,39)(H,33,34,40)/t16-,21-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360823
PNG
(5-((5-fluoropyrimidin-2- yl)ethynyl)-1-(2-oxo-2- (...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2ccn(CC(F)(F)F)n2)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C27H21F4N9O3/c28-16-10-33-21(34-11-16)4-2-14-1-3-18-17(7-14)24(25(32)42)37-39(18)12-23(41)40-19-8-15(19)9-20(40)26(43)35-22-5-6-38(36-22)13-27(29,30)31/h1,3,5-7,10-11,15,19-20H,8-9,12-13H2,(H2,32,42)(H,35,36,43)/t15-,19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360829
PNG
(1-(2-((2S,4R)-2-(2'-chloro- 2-fluorobiphenyl-3- yl...)
Show SMILES COc1nc(ncc1F)C#Cc1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)nc(C(N)=O)c2c1
Show InChI InChI=1S/C34H25ClF3N7O4/c1-49-34-24(37)15-40-28(42-34)12-10-18-9-11-26-22(13-18)31(32(39)47)43-45(26)17-29(46)44-16-19(36)14-27(44)33(48)41-25-8-4-6-21(30(25)38)20-5-2-3-7-23(20)35/h2-9,11,13,15,19,27H,14,16-17H2,1H3,(H2,39,47)(H,41,48)/t19-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360838
PNG
(1-(2-((2S,4R)-2-(6-(2- chloro-4,5- difluorophenyl)...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(n2)-c2cc(F)c(F)cc2Cl)c2ccc(cc12)C#Cc1ncc(F)cn1
Show InChI InChI=1S/C31H20ClF4N9O3/c32-20-8-22(36)21(35)7-18(20)23-11-38-12-27(41-23)42-31(48)25-6-16(33)13-44(25)28(46)14-45-24-3-1-15(5-19(24)29(43-45)30(37)47)2-4-26-39-9-17(34)10-40-26/h1,3,5,7-12,16,25H,6,13-14H2,(H2,37,47)(H,41,42,48)/t16-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360842
PNG
(1-(2-((2S,4R)-2-(6- bromopyridin-2- ylcarbamoyl)-4...)
Show SMILES Cc1cnc(nc1)C#Cc1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(Br)n3)nc(C(N)=O)c2c1
Show InChI InChI=1S/C27H22BrFN8O3/c1-15-11-31-22(32-12-15)8-6-16-5-7-19-18(9-16)25(26(30)39)35-37(19)14-24(38)36-13-17(29)10-20(36)27(40)34-23-4-2-3-21(28)33-23/h2-5,7,9,11-12,17,20H,10,13-14H2,1H3,(H2,30,39)(H,33,34,40)/t17-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360761
PNG
((2S,4R)-1-(2-(3-acetyl-6-(3- (ethylsulfonamido)-3-...)
Show SMILES CCS(=O)(=O)NC(=O)C#Cc1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C29H27ClF2N4O6S/c1-3-43(41,42)34-26(38)10-8-18-7-9-21-22(17(2)37)15-35(24(21)11-18)16-27(39)36-14-20(31)12-25(36)29(40)33-13-19-5-4-6-23(30)28(19)32/h4-7,9,11,15,20,25H,3,12-14,16H2,1-2H3,(H,33,40)(H,34,38)/t20-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360762
PNG
(3-(1-(2-((2S,4R)-2-(3- chloro-2- fluorobenzylcarba...)
Show SMILES OC(=O)C#Cc1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H19ClF5N3O5/c28-19-3-1-2-15(24(19)30)10-34-26(41)21-9-16(29)11-36(21)22(37)13-35-12-18(25(40)27(31,32)33)17-6-4-14(8-20(17)35)5-7-23(38)39/h1-4,6,8,12,16,21H,9-11,13H2,(H,34,41)(H,38,39)/t16-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360769
PNG
((2S,4R)-1-(2-(3-acetyl-5- (isothiazol-4-ylethynyl)...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1cnsc1
Show InChI InChI=1S/C29H23ClF2N4O3S/c1-17(37)23-14-35(25-8-7-18(9-22(23)25)5-6-19-11-34-40-16-19)15-27(38)36-13-21(31)10-26(36)29(39)33-12-20-3-2-4-24(30)28(20)32/h2-4,7-9,11,14,16,21,26H,10,12-13,15H2,1H3,(H,33,39)/t21-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360775
PNG
((2S,4R)-1-(2-(3-acetyl-5- ((3-cyano-1H-pyrazol-4- ...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1c[nH]nc1C#N
Show InChI InChI=1S/C30H23ClF2N6O3/c1-17(40)23-15-38(26-8-6-18(9-22(23)26)5-7-19-13-36-37-25(19)11-34)16-28(41)39-14-21(32)10-27(39)30(42)35-12-20-3-2-4-24(31)29(20)33/h2-4,6,8-9,13,15,21,27H,10,12,14,16H2,1H3,(H,35,42)(H,36,37)/t21-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360783
PNG
(1-(2-((2S,4R)-2-(3-chloro-2- fluorobenzylcarbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C27H21ClF2N8O3/c28-19-4-1-3-15(24(19)30)11-35-27(41)20-9-16(29)13-37(20)23(39)14-38-21-12-34-17(5-6-22-32-7-2-8-33-22)10-18(21)25(36-38)26(31)40/h1-4,7-8,10,12,16,20H,9,11,13-14H2,(H2,31,40)(H,35,41)/t16-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360807
PNG
(1-(2-((1R,3S,5R)-3-(6- chloropyridin-2- ylcarbamoy...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C27H21ClN8O3/c28-21-3-1-4-23(32-21)33-27(39)20-13-16-12-19(16)36(20)24(37)14-35-18-7-5-15(6-8-22-30-9-2-10-31-22)11-17(18)25(34-35)26(29)38/h1-5,7,9-11,16,19-20H,12-14H2,(H2,29,38)(H,32,33,39)/t16-,19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360820
PNG
(1-(2-((2S,4R)-4-fluoro-2-(2- fluoro-3-(pyrimidin-5...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3cncnc3)c2F)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C31H23F2N9O3/c32-20-12-25(31(45)39-23-4-1-3-21(28(23)33)19-13-35-17-36-14-19)41(15-20)27(43)16-42-24-7-5-18(6-8-26-37-9-2-10-38-26)11-22(24)29(40-42)30(34)44/h1-5,7,9-11,13-14,17,20,25H,12,15-16H2,(H2,34,44)(H,39,45)/t20-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360826
PNG
(1-(2-((2S,4R)-2-(6- chloropyridin-2- ylcarbamoyl)-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(cc12)C#Cc1cccnn1
Show InChI InChI=1S/C26H20ClFN8O3/c27-21-4-1-5-22(31-21)32-26(39)20-12-16(28)13-35(20)23(37)14-36-19-9-7-15(6-8-17-3-2-10-30-33-17)11-18(19)24(34-36)25(29)38/h1-5,7,9-11,16,20H,12-14H2,(H2,29,38)(H,31,32,39)/t16-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360830
PNG
(1-(2-((2S,4R)-2-(2'-chloro- 2-fluorobiphenyl-3- yl...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)C#Cc1ccnnc1
Show InChI InChI=1S/C33H24ClF2N7O3/c34-25-6-2-1-4-22(25)23-5-3-7-26(30(23)36)40-33(46)28-15-21(35)17-42(28)29(44)18-43-27-11-10-19(8-9-20-12-13-38-39-16-20)14-24(27)31(41-43)32(37)45/h1-7,10-14,16,21,28H,15,17-18H2,(H2,37,45)(H,40,46)/t21-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360763
PNG
((2S,4R)-1-(2-(3-acetyl-5- ((2-fluoro-3- (trifluoro...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1cccc(OC(F)(F)F)c1F
Show InChI InChI=1S/C33H24ClF6N3O4/c1-18(44)24-16-42(17-29(45)43-15-22(35)13-27(43)32(46)41-14-21-5-2-6-25(34)30(21)36)26-11-9-19(12-23(24)26)8-10-20-4-3-7-28(31(20)37)47-33(38,39)40/h2-7,9,11-12,16,22,27H,13-15,17H2,1H3,(H,41,46)/t22-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360802
PNG
(1-(2-((1R,3S,5R)-3-(3- chloro-2- fluorobenzylcarba...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3CC(F)(F)[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C30H23ClF3N7O3/c31-20-4-1-3-17(26(20)32)14-38-29(44)22-12-19-23(13-30(19,33)34)41(22)25(42)15-40-21-7-5-16(6-8-24-36-9-2-10-37-24)11-18(21)27(39-40)28(35)43/h1-5,7,9-11,19,22-23H,12-15H2,(H2,35,43)(H,38,44)/t19-,22+,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM360782
PNG
(1-(2-((2S,4R)-4-fluoro-2- (2,3,4,9-tetrahydro-1H- ...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCc3c(C2)[nH]c2ccccc32)c2ccc(cc12)C#Cc1ncccn1
Show InChI InChI=1S/C32H27FN8O3/c33-20-15-27(32(44)39-13-10-22-21-4-1-2-5-24(21)37-25(22)17-39)40(16-20)29(42)18-41-26-8-6-19(7-9-28-35-11-3-12-36-28)14-23(26)30(38-41)31(34)43/h1-6,8,11-12,14,20,27,37H,10,13,15-18H2,(H2,34,43)/t20-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9828396 (2017)

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