BindingDB logo
myBDB logout

Patent code US9663543

Compile Data Set for Download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Factor D


(Homo sapiens (Human))
BDBM330234
PNG
(3-acetyl-1-(2-((2S,4R)-2-(3- chloro-2- fluorobenzy...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)P(O)(O)=O
Show InChI InChI=1S/C24H23ClF2N3O6P/c1-13(31)18-11-29(20-6-5-16(8-17(18)20)37(34,35)36)12-22(32)30-10-15(26)7-21(30)24(33)28-9-14-3-2-4-19(25)23(14)27/h2-6,8,11,15,21H,7,9-10,12H2,1H3,(H,28,33)(H2,34,35,36)/t15-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330237
PNG
(US9663543, Compound 13 | methyl 1-(2-((2S,4R)-2-(3...)
Show SMILES CCOP(=O)(OCC)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(=O)OC
Show InChI InChI=1S/C28H31ClF2N3O7P/c1-4-40-42(38,41-5-2)19-9-10-20-21(28(37)39-3)15-33(23(20)12-19)16-25(35)34-14-18(30)11-24(34)27(36)32-13-17-7-6-8-22(29)26(17)31/h6-10,12,15,18,24H,4-5,11,13-14,16H2,1-3H3,(H,32,36)/t18-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330226
PNG
(US9663543, Compound 2 | ethyl hydrogen 3-acetyl-1-...)
Show SMILES CCOP(O)(=O)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C26H27ClF2N3O6P/c1-3-38-39(36,37)18-7-8-19-20(15(2)33)13-31(22(19)10-18)14-24(34)32-12-17(28)9-23(32)26(35)30-11-16-5-4-6-21(27)25(16)29/h4-8,10,13,17,23H,3,9,11-12,14H2,1-2H3,(H,30,35)(H,36,37)/t17-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330252
PNG
(((3-acetyl-1-(2-((2S,4R)-2- (3-chloro-2- fluoroben...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)P(O)(=O)OCOC(=O)C(C)(C)C
Show InChI InChI=1S/C30H33ClF2N3O8P/c1-17(37)22-14-35(24-11-20(8-9-21(22)24)45(41,42)44-16-43-29(40)30(2,3)4)15-26(38)36-13-19(32)10-25(36)28(39)34-12-18-6-5-7-23(31)27(18)33/h5-9,11,14,19,25H,10,12-13,15-16H2,1-4H3,(H,34,39)(H,41,42)/t19-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330257
PNG
(US9663543, Compound 33 | diphenyl 3-acetyl-1-(2- (...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C36H31ClF2N3O6P/c1-23(43)30-21-41(22-34(44)42-20-25(38)17-33(42)36(45)40-19-24-9-8-14-31(37)35(24)39)32-18-28(15-16-29(30)32)49(46,47-26-10-4-2-5-11-26)48-27-12-6-3-7-13-27/h2-16,18,21,25,33H,17,19-20,22H2,1H3,(H,40,45)/t25-,33+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330244
PNG
(US9663543, Compound 20 | dibutyl 3-acetyl-1-(2- ((...)
Show SMILES CCCCOP(=O)(OCCCC)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C32H39ClF2N3O6P/c1-4-6-13-43-45(42,44-14-7-5-2)24-11-12-25-26(21(3)39)19-37(28(25)16-24)20-30(40)38-18-23(34)15-29(38)32(41)36-17-22-9-8-10-27(33)31(22)35/h8-12,16,19,23,29H,4-7,13-15,17-18,20H2,1-3H3,(H,36,41)/t23-,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330231
PNG
(3-acetyl-1-(2- ((2S,3aR,6aR)-2-(3-chloro- 2- fluor...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3CCC[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)P(O)(O)=O
Show InChI InChI=1S/C27H28ClFN3O6P/c1-15(33)20-13-31(23-11-18(39(36,37)38)8-9-19(20)23)14-25(34)32-22-7-3-4-16(22)10-24(32)27(35)30-12-17-5-2-6-21(28)26(17)29/h2,5-6,8-9,11,13,16,22,24H,3-4,7,10,12,14H2,1H3,(H,30,35)(H2,36,37,38)/t16-,22-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330239
PNG
(US9663543, Compound 15 | diethyl 3-carbamoyl-1-(2-...)
Show SMILES CCOP(=O)(OCC)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(N)=O
Show InChI InChI=1S/C27H30ClF2N4O6P/c1-3-39-41(38,40-4-2)18-8-9-19-20(26(31)36)14-33(22(19)11-18)15-24(35)34-13-17(29)10-23(34)27(37)32-12-16-6-5-7-21(28)25(16)30/h5-9,11,14,17,23H,3-4,10,12-13,15H2,1-2H3,(H2,31,36)(H,32,37)/t17-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330251
PNG
(3-acetyl-1-(2-((2S,4R)-2-(3- chloro-2- fluorobenzy...)
Show SMILES CCP(O)(=O)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C26H27ClF2N3O5P/c1-3-38(36,37)18-7-8-19-20(15(2)33)13-31(22(19)10-18)14-24(34)32-12-17(28)9-23(32)26(35)30-11-16-5-4-6-21(27)25(16)29/h4-8,10,13,17,23H,3,9,11-12,14H2,1-2H3,(H,30,35)(H,36,37)/t17-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330255
PNG
(3-acetyl-1-(2-((2S,4R)-2-(3- chloro-2- fluorobenzy...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(c(F)cc12)P(O)(O)=O
Show InChI InChI=1S/C24H22ClF3N3O6P/c1-12(32)16-10-30(19-7-21(38(35,36)37)18(27)6-15(16)19)11-22(33)31-9-14(26)5-20(31)24(34)29-8-13-3-2-4-17(25)23(13)28/h2-4,6-7,10,14,20H,5,8-9,11H2,1H3,(H,29,34)(H2,35,36,37)/t14-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330227
PNG
(3-acetyl-1-(2-((2S,4R)-2-(3- chloro-2- fluorobenzy...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)P(O)(O)=O
Show InChI InChI=1S/C24H23ClF2N3O6P/c1-13(31)18-11-29(20-8-16(37(34,35)36)5-6-17(18)20)12-22(32)30-10-15(26)7-21(30)24(33)28-9-14-3-2-4-19(25)23(14)27/h2-6,8,11,15,21H,7,9-10,12H2,1H3,(H,28,33)(H2,34,35,36)/t15-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330228
PNG
(((3-acetyl-1-(2-((2S,4R)-2- (3-chloro-2- fluoroben...)
Show SMILES CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C34H39ClF2N3O12P/c1-19(2)51-33(44)47-17-49-53(46,50-18-48-34(45)52-20(3)4)24-9-10-25-26(21(5)41)15-39(28(25)12-24)16-30(42)40-14-23(36)11-29(40)32(43)38-13-22-7-6-8-27(35)31(22)37/h6-10,12,15,19-20,23,29H,11,13-14,16-18H2,1-5H3,(H,38,43)/t23-,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330238
PNG
(1-(2-((2S,4R)-2-(3-chloro- 2-fluorobenzylcarbamoyl...)
Show SMILES COC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)P(O)(O)=O
Show InChI InChI=1S/C24H23ClF2N3O7P/c1-37-24(33)17-11-29(19-8-15(38(34,35)36)5-6-16(17)19)12-21(31)30-10-14(26)7-20(30)23(32)28-9-13-3-2-4-18(25)22(13)27/h2-6,8,11,14,20H,7,9-10,12H2,1H3,(H,28,32)(H2,34,35,36)/t14-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330240
PNG
(3-carbamoyl-1-(2-((2S,4R)- 2-(3-chloro-2- fluorobe...)
Show SMILES NC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)P(O)(O)=O
Show InChI InChI=1S/C23H22ClF2N4O6P/c24-17-3-1-2-12(21(17)26)8-28-23(33)19-6-13(25)9-30(19)20(31)11-29-10-16(22(27)32)15-5-4-14(7-18(15)29)37(34,35)36/h1-5,7,10,13,19H,6,8-9,11H2,(H2,27,32)(H,28,33)(H2,34,35,36)/t13-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330249
PNG
(3-acetyl-1-(2-((2S,4R)-2-(3- chloro-2- fluorobenzy...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)P(O)(=O)c1ccccc1
Show InChI InChI=1S/C30H27ClF2N3O5P/c1-18(37)24-16-35(26-13-22(10-11-23(24)26)42(40,41)21-7-3-2-4-8-21)17-28(38)36-15-20(32)12-27(36)30(39)34-14-19-6-5-9-25(31)29(19)33/h2-11,13,16,20,27H,12,14-15,17H2,1H3,(H,34,39)(H,40,41)/t20-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330250
PNG
(((3-acetyl-1-(2-((2S,4R)-2- (3-chloro-2- fluoroben...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
Show InChI InChI=1S/C36H43ClF2N3O10P/c1-21(43)26-17-41(18-30(44)42-16-23(38)13-29(42)32(45)40-15-22-9-8-10-27(37)31(22)39)28-14-24(11-12-25(26)28)53(48,51-19-49-33(46)35(2,3)4)52-20-50-34(47)36(5,6)7/h8-12,14,17,23,29H,13,15-16,18-20H2,1-7H3,(H,40,45)/t23-,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330253
PNG
(2,2,2-trifluoroethyl hydrogen 3-acetyl-1-(2- ((2S,...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)P(O)(=O)OCC(F)(F)F
Show InChI InChI=1S/C26H24ClF5N3O6P/c1-14(36)19-11-34(21-8-17(5-6-18(19)21)42(39,40)41-13-26(30,31)32)12-23(37)35-10-16(28)7-22(35)25(38)33-9-15-3-2-4-20(27)24(15)29/h2-6,8,11,16,22H,7,9-10,12-13H2,1H3,(H,33,38)(H,39,40)/t16-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330256
PNG
(1-(2-((2S,4R)-2-(3-chloro- 2-fluorobenzylcarbamoyl...)
Show SMILES OP(O)(=O)c1ccc2c(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/C24H20ClF5N3O6P/c25-17-3-1-2-12(21(17)27)8-31-23(36)19-6-13(26)9-33(19)20(34)11-32-10-16(22(35)24(28,29)30)15-5-4-14(7-18(15)32)40(37,38)39/h1-5,7,10,13,19H,6,8-9,11H2,(H,31,36)(H2,37,38,39)/t13-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330225
PNG
(US9663543, Compound 1 | diethyl 3-acetyl-1-(2- ((2...)
Show SMILES CCOP(=O)(OCC)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C28H31ClF2N3O6P/c1-4-39-41(38,40-5-2)20-9-10-21-22(17(3)35)15-33(24(21)12-20)16-26(36)34-14-19(30)11-25(34)28(37)32-13-18-7-6-8-23(29)27(18)31/h6-10,12,15,19,25H,4-5,11,13-14,16H2,1-3H3,(H,32,37)/t19-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330245
PNG
(US9663543, Compound 21 | butyl hydrogen 3-acetyl-1...)
Show SMILES CCCCOP(O)(=O)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C28H31ClF2N3O6P/c1-3-4-10-40-41(38,39)20-8-9-21-22(17(2)35)15-33(24(21)12-20)16-26(36)34-14-19(30)11-25(34)28(37)32-13-18-6-5-7-23(29)27(18)31/h5-9,12,15,19,25H,3-4,10-11,13-14,16H2,1-2H3,(H,32,37)(H,38,39)/t19-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330248
PNG
(US9663543, Compound 24 | ethyl 3-acetyl-1-(2- ((2S...)
Show SMILES CCOP(=O)(CC)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C28H31ClF2N3O5P/c1-4-39-40(38,5-2)20-9-10-21-22(17(3)35)15-33(24(21)12-20)16-26(36)34-14-19(30)11-25(34)28(37)32-13-18-7-6-8-23(29)27(18)31/h6-10,12,15,19,25H,4-5,11,13-14,16H2,1-3H3,(H,32,37)/t19-,25+,40?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330232
PNG
(US9663543, Compound 8 | diethyl 3-acetyl-1-(2- ((2...)
Show SMILES CCOP(=O)(OCC)c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)cc(C(C)=O)c2c1
Show InChI InChI=1S/C28H31ClF2N3O6P/c1-4-39-41(38,40-5-2)20-9-10-24-21(12-20)22(17(3)35)15-33(24)16-26(36)34-14-19(30)11-25(34)28(37)32-13-18-7-6-8-23(29)27(18)31/h6-10,12,15,19,25H,4-5,11,13-14,16H2,1-3H3,(H,32,37)/t19-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330247
PNG
(US9663543, Compound 23 | ethyl 3-acetyl-1-(2- ((2S...)
Show SMILES CCOP(=O)(c1ccccc1)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C32H31ClF2N3O5P/c1-3-43-44(42,23-9-5-4-6-10-23)24-12-13-25-26(20(2)39)18-37(28(25)15-24)19-30(40)38-17-22(34)14-29(38)32(41)36-16-21-8-7-11-27(33)31(21)35/h4-13,15,18,22,29H,3,14,16-17,19H2,1-2H3,(H,36,41)/t22-,29+,44?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330254
PNG
(US9663543, Compound 30 | diethyl 3-acetyl-1-(2- ((...)
Show SMILES CCOP(=O)(OCC)c1cc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)cc(C(C)=O)c2cc1F
Show InChI InChI=1S/C28H30ClF3N3O6P/c1-4-40-42(39,41-5-2)25-11-23-19(10-22(25)31)20(16(3)36)14-34(23)15-26(37)35-13-18(30)9-24(35)28(38)33-12-17-7-6-8-21(29)27(17)32/h6-8,10-11,14,18,24H,4-5,9,12-13,15H2,1-3H3,(H,33,38)/t18-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330230
PNG
(((3-acetyl-1-(2-((2S,4R)-2- (3-chloro-2- fluoroben...)
Show SMILES CCOP(=O)(OCOC(=O)OC(C)C)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C31H35ClF2N3O9P/c1-5-44-47(42,45-17-43-31(41)46-18(2)3)22-9-10-23-24(19(4)38)15-36(26(23)12-22)16-28(39)37-14-21(33)11-27(37)30(40)35-13-20-7-6-8-25(32)29(20)34/h6-10,12,15,18,21,27H,5,11,13-14,16-17H2,1-4H3,(H,35,40)/t21-,27+,47?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330241
PNG
(US9663543, Compound 17 | diethyl 3-carbamoyl-1-(2-...)
Show SMILES CCOP(=O)(OCC)c1ccc2c(nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(N)=O
Show InChI InChI=1S/C26H29ClF2N5O6P/c1-3-39-41(38,40-4-2)17-8-9-18-20(11-17)34(32-24(18)25(30)36)14-22(35)33-13-16(28)10-21(33)26(37)31-12-15-6-5-7-19(27)23(15)29/h5-9,11,16,21H,3-4,10,12-14H2,1-2H3,(H2,30,36)(H,31,37)/t16-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330242
PNG
(3-carbamoyl-1-(2-((2S,4R)- 2-(3-chloro-2- fluorobe...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)P(O)(O)=O
Show InChI InChI=1S/C22H21ClF2N5O6P/c23-15-3-1-2-11(19(15)25)8-27-22(33)17-6-12(24)9-29(17)18(31)10-30-16-7-13(37(34,35)36)4-5-14(16)20(28-30)21(26)32/h1-5,7,12,17H,6,8-10H2,(H2,26,32)(H,27,33)(H2,34,35,36)/t12-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330243
PNG
(US9663543, Compound 19 | bis(2,2,2-trifluoroethyl)...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)P(=O)(OCC(F)(F)F)OCC(F)(F)F
Show InChI InChI=1S/C28H25ClF8N3O6P/c1-15(41)20-11-39(22-8-18(5-6-19(20)22)47(44,45-13-27(32,33)34)46-14-28(35,36)37)12-24(42)40-10-17(30)7-23(40)26(43)38-9-16-3-2-4-21(29)25(16)31/h2-6,8,11,17,23H,7,9-10,12-14H2,1H3,(H,38,43)/t17-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330246
PNG
(((3-acetyl-1-(2-((2S,4R)-2- (3-chloro-2- fluoroben...)
Show SMILES CC(C)OC(=O)OCOP(O)(=O)c1ccc2c(cn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C29H31ClF2N3O9P/c1-16(2)44-29(39)42-15-43-45(40,41)20-7-8-21-22(17(3)36)13-34(24(21)10-20)14-26(37)35-12-19(31)9-25(35)28(38)33-11-18-5-4-6-23(30)27(18)32/h4-8,10,13,16,19,25H,9,11-12,14-15H2,1-3H3,(H,33,38)(H,40,41)/t19-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330229
PNG
(US9663543, Compound 5 | diethyl 3-acetyl-1-(2- ((2...)
Show SMILES CCOP(=O)(OCC)c1ccc2c(cn(CC(=O)N3[C@@H]4CCC[C@@H]4C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(C)=O
Show InChI InChI=1S/C31H36ClFN3O6P/c1-4-41-43(40,42-5-2)22-12-13-23-24(19(3)37)17-35(27(23)15-22)18-29(38)36-26-11-7-8-20(26)14-28(36)31(39)34-16-21-9-6-10-25(32)30(21)33/h6,9-10,12-13,15,17,20,26,28H,4-5,7-8,11,14,16,18H2,1-3H3,(H,34,39)/t20-,26-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330235
PNG
(US9663543, Compound 11 | ethyl 1-(2-((2S,4R)-2-(3-...)
Show SMILES CCOC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)P(=O)(OCC)OCC
Show InChI InChI=1S/C28H32ClF2N4O7P/c1-4-40-28(38)26-20-11-10-19(43(39,41-5-2)42-6-3)13-22(20)35(33-26)16-24(36)34-15-18(30)12-23(34)27(37)32-14-17-8-7-9-21(29)25(17)31/h7-11,13,18,23H,4-6,12,14-16H2,1-3H3,(H,32,37)/t18-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330236
PNG
(1-(2-((2S,4R)-2-(3-chloro- 2-fluorobenzylcarbamoyl...)
Show SMILES CCOP(=O)(OCC)c1ccc2c(nn(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(O)=O
Show InChI InChI=1S/C26H28ClF2N4O7P/c1-3-39-41(38,40-4-2)17-8-9-18-20(11-17)33(31-24(18)26(36)37)14-22(34)32-13-16(28)10-21(32)25(35)30-12-15-6-5-7-19(27)23(15)29/h5-9,11,16,21H,3-4,10,12-14H2,1-2H3,(H,30,35)(H,36,37)/t16-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM330233
PNG
(US9663543, Compound 9 | ethyl hydrogen 3-acetyl-1-...)
Show SMILES CCOP(O)(=O)c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)cc(C(C)=O)c2c1
Show InChI InChI=1S/C26H27ClF2N3O6P/c1-3-38-39(36,37)18-7-8-22-19(10-18)20(15(2)33)13-31(22)14-24(34)32-12-17(28)9-23(32)26(35)30-11-16-5-4-6-21(27)25(16)29/h4-8,10,13,17,23H,3,9,11-12,14H2,1-2H3,(H,30,35)(H,36,37)/t17-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9663543 (2017)

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