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Compile Data Set for Download or QSAR

Found 1775 hits with Last Name = 'lorthiois' and Initial = 'e'   
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))
BDBM50400274
PNG
(CHEMBL2180765 | US9085555, 373)
Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC#N)ccc12 |r|
Show InChI InChI=1S/C25H22ClFN6O4/c26-17-3-1-2-13(22(17)27)11-30-23(34)21-9-14-8-20(14)33(21)25(36)31-18-12-32(24(29)35)19-5-4-15(10-16(18)19)37-7-6-28/h1-5,10,12,14,20-21H,7-9,11H2,(H2,29,35)(H,30,34)(H,31,36)/t14-,20-,21+/m1/s1
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n/an/a 1n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM50400273
PNG
(CHEMBL2180764 | US9085555, 375)
Show SMILES C[C@@]1(F)C[C@H](N(C1)C(=O)Nc1cn(C(N)=O)c2ccc(OCC(O)=O)cc12)C(=O)NCc1cccc(Cl)c1F |r|
Show InChI InChI=1S/C25H24ClF2N5O6/c1-25(28)8-19(22(36)30-9-13-3-2-4-16(26)21(13)27)33(12-25)24(38)31-17-10-32(23(29)37)18-6-5-14(7-15(17)18)39-11-20(34)35/h2-7,10,19H,8-9,11-12H2,1H3,(H2,29,37)(H,30,36)(H,31,38)(H,34,35)/t19-,25+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM50400275
PNG
(CHEMBL2180766 | US9085555, 127)
Show SMILES CC(C)(C)OC(=O)Cc1ccc2c(NC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NCc3cccc(Cl)c3F)cn(C(N)=O)c2c1 |r|
Show InChI InChI=1S/C29H31ClFN5O5/c1-29(2,3)41-24(37)10-15-7-8-18-20(14-35(27(32)39)22(18)9-15)34-28(40)36-21-11-17(21)12-23(36)26(38)33-13-16-5-4-6-19(30)25(16)31/h4-9,14,17,21,23H,10-13H2,1-3H3,(H2,32,39)(H,33,38)(H,34,40)/t17-,21-,23+/m1/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170738
PNG
(US9085555, 166)
Show SMILES NC(=O)n1cc(NC(=O)N2C3CC3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12 |r|
Show InChI InChI=1/C23H21ClFN5O3/c24-15-6-3-4-12(20(15)25)10-27-21(31)19-9-13-8-18(13)30(19)23(33)28-16-11-29(22(26)32)17-7-2-1-5-14(16)17/h1-7,11,13,18-19H,8-10H2,(H2,26,32)(H,27,31)(H,28,33)/t13?,18?,19-/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170864
PNG
(US9085555, 292)
Show SMILES COc1ccc2n(cc(NC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(N)=O |r|
Show InChI InChI=1/C23H22ClF2N5O4/c1-35-14-5-6-18-15(8-14)17(11-30(18)22(27)33)29-23(34)31-10-13(25)7-19(31)21(32)28-9-12-3-2-4-16(24)20(12)26/h2-6,8,11,13,19H,7,9-10H2,1H3,(H2,27,33)(H,28,32)(H,29,34)/t13-,19+/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170890
PNG
(US9085555, 318)
Show SMILES COC(=O)COc1ccc2n(cc(NC(=O)N3C[C@](C)(F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(N)=O |r|
Show InChI InChI=1/C26H26ClF2N5O6/c1-26(29)9-20(23(36)31-10-14-4-3-5-17(27)22(14)28)34(13-26)25(38)32-18-11-33(24(30)37)19-7-6-15(8-16(18)19)40-12-21(35)39-2/h3-8,11,20H,9-10,12-13H2,1-2H3,(H2,30,37)(H,31,36)(H,32,38)/t20-,26+/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170943
PNG
(US9085555, 371)
Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(O)ccc12 |r|
Show InChI InChI=1/C23H21ClFN5O4/c24-15-3-1-2-11(20(15)25)9-27-21(32)19-7-12-6-18(12)30(19)23(34)28-16-10-29(22(26)33)17-5-4-13(31)8-14(16)17/h1-5,8,10,12,18-19,31H,6-7,9H2,(H2,26,33)(H,27,32)(H,28,34)/t12-,18-,19+/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170945
PNG
(US9085555, 374)
Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC(O)=O)ccc12 |r|
Show InChI InChI=1/C25H23ClFN5O6/c26-16-3-1-2-12(22(16)27)9-29-23(35)20-7-13-6-19(13)32(20)25(37)30-17-10-31(24(28)36)18-5-4-14(8-15(17)18)38-11-21(33)34/h1-5,8,10,13,19-20H,6-7,9,11H2,(H2,28,36)(H,29,35)(H,30,37)(H,33,34)/t13-,19-,20+/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171262
PNG
(US9085555, 692)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12 |r|
Show InChI InChI=1/C23H21ClFN5O3/c24-15-6-3-4-12(20(15)25)10-27-23(33)18-9-13-8-17(13)30(18)19(31)11-29-16-7-2-1-5-14(16)21(28-29)22(26)32/h1-7,13,17-18H,8-11H2,(H2,26,32)(H,27,33)/t13-,17-,18+/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171267
PNG
(US9085555, 697)
Show SMILES CCc1cc2c(nn(CC(=O)N3C[C@H](F)[C@@H](OC)[C@H]3C(=O)NCc3cccc(Cl)c3F)c2cn1)C(N)=O |r|
Show InChI InChI=1/C24H25ClF2N6O4/c1-3-13-7-14-17(9-29-13)33(31-20(14)23(28)35)11-18(34)32-10-16(26)22(37-2)21(32)24(36)30-8-12-5-4-6-15(25)19(12)27/h4-7,9,16,21-22H,3,8,10-11H2,1-2H3,(H2,28,35)(H,30,36)/t16-,21-,22+/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171305
PNG
(US9085555, 735)
Show SMILES CCc1cc2c(nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc3cccc(Br)n3)c2cn1)C(N)=O |r|
Show InChI InChI=1/C22H22BrN7O3/c1-2-12-8-13-16(9-25-12)29(28-20(13)21(24)32)10-19(31)30-14-6-11(14)7-15(30)22(33)27-18-5-3-4-17(23)26-18/h3-5,8-9,11,14-15H,2,6-7,10H2,1H3,(H2,24,32)(H,26,27,33)/t11-,14-,15+/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171311
PNG
(US9085555, 741 | US9085555, 757)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccccc12 |r|
Show InChI InChI=1/C21H19BrN6O3/c1-11(29)20-13-4-2-3-5-14(13)27(26-20)10-19(30)28-15-6-12(15)7-16(28)21(31)25-18-9-23-8-17(22)24-18/h2-5,8-9,12,15-16H,6-7,10H2,1H3,(H,24,25,31)/t12-,15-,16+/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254483
PNG
(US9468661, 61)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3ncn(C)n3)ccc12)[C@H]1CC1(Cl)Cl |r|
Show InChI InChI=1/C26H29Cl2N7O4/c1-13(18-9-26(18,27)28)30-25(38)21-7-15-6-20(15)35(21)23(37)10-34-19-5-4-16(8-17(19)24(32-34)14(2)36)39-11-22-29-12-33(3)31-22/h4-5,8,12-13,15,18,20-21H,6-7,9-11H2,1-3H3,(H,30,38)/t13-,15-,18-,20-,21+/s2
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Novartis AG

US Patent


Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


US Patent US9468661 (2016)


BindingDB Entry DOI: 10.7270/Q23N22B5
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254486
PNG
(US9468661, 64)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3cc(C)[nH]n3)ccc12)[C@H]1CC1(Cl)Cl |r|
Show InChI InChI=1/C27H30Cl2N6O4/c1-13-6-17(32-31-13)12-39-18-4-5-21-19(9-18)25(15(3)36)33-34(21)11-24(37)35-22-7-16(22)8-23(35)26(38)30-14(2)20-10-27(20,28)29/h4-6,9,14,16,20,22-23H,7-8,10-12H2,1-3H3,(H,30,38)(H,31,32)/t14-,16-,20-,22-,23+/s2
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Novartis AG

US Patent


Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


US Patent US9468661 (2016)


BindingDB Entry DOI: 10.7270/Q23N22B5
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254498
PNG
(US9468661, 109 | US9468661, 76)
Show SMILES CC1[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3cc(OCc4ncccn4)ccc23)C1(Cl)Cl |r|
Show InChI InChI=1/C27H28Cl2N6O4/c1-14-19(27(14,28)29)11-32-26(38)22-9-16-8-21(16)35(22)24(37)12-34-20-5-4-17(10-18(20)25(33-34)15(2)36)39-13-23-30-6-3-7-31-23/h3-7,10,14,16,19,21-22H,8-9,11-13H2,1-2H3,(H,32,38)/t14?,16-,19-,21-,22+/s2
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Novartis AG

US Patent


Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


US Patent US9468661 (2016)


BindingDB Entry DOI: 10.7270/Q23N22B5
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50066269
PNG
(CHEMBL3401541)
Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1/C27H39N3O6S/c1-20(2)30(27(31)22-11-12-25(35-4)26(15-22)36-14-8-13-34-3)18-23-16-28-17-24(23)29-37(32,33)19-21-9-6-5-7-10-21/h5-7,9-12,15,20,23-24,28-29H,8,13-14,16-19H2,1-4H3/t23-,24+/s2
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay in presence of plasma


Bioorg Med Chem Lett 25: 1782-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50151638
PNG
(8''-chloro-5''-(5-hydroxy-1,2,4-oxadiazol-3-ylmeth...)
Show SMILES Clc1ccc(OCc2nc(=O)o[nH]2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C16H17ClN4O4/c17-9-4-5-10(24-8-11-18-15(23)25-21-11)12-13(9)19-14(22)20-16(12)6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H,18,21,23)(H2,19,20,22)
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50151562
PNG
(7-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1...)
Show SMILES Cc1nc(N)c2ccc(cc2n1)-c1nn(C)\c(=N\C2CCCCC2)s1
Show InChI InChI=1S/C18H22N6S/c1-11-20-15-10-12(8-9-14(15)16(19)21-11)17-23-24(2)18(25-17)22-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H2,19,20,21)/b22-18-
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4607-13 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.008
BindingDB Entry DOI: 10.7270/Q2377855
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170701
PNG
(US9085555, 129)
Show SMILES CC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](CO)c2cccc(Cl)c2F)c2ccccc12 |r|
Show InChI InChI=1/C25H24ClFN4O4/c1-13(33)30-11-18(15-5-2-3-8-20(15)30)29-25(35)31-21-9-14(21)10-22(31)24(34)28-19(12-32)16-6-4-7-17(26)23(16)27/h2-8,11,14,19,21-22,32H,9-10,12H2,1H3,(H,28,34)(H,29,35)/t14-,19-,21-,22+/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170878
PNG
(US9085555, 306)
Show SMILES CCOC(=O)Cc1ccc2n(cc(NC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(N)=O |r|
Show InChI InChI=1/C27H27ClFN5O5/c1-2-39-23(35)9-14-6-7-20-17(8-14)19(13-33(20)26(30)37)32-27(38)34-21-10-16(21)11-22(34)25(36)31-12-15-4-3-5-18(28)24(15)29/h3-8,13,16,21-22H,2,9-12H2,1H3,(H2,30,37)(H,31,36)(H,32,38)/t16-,21-,22+/s2
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US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170953
PNG
(US9085555, 383)
Show SMILES C[C@@]1(F)C[C@H](N(C1)C(=O)Nc1cn(C(N)=O)c2ccc(OCCO)cc12)C(=O)NCc1cccc(Cl)c1F |r|
Show InChI InChI=1/C25H26ClF2N5O5/c1-25(28)10-20(22(35)30-11-14-3-2-4-17(26)21(14)27)33(13-25)24(37)31-18-12-32(23(29)36)19-6-5-15(9-16(18)19)38-8-7-34/h2-6,9,12,20,34H,7-8,10-11,13H2,1H3,(H2,29,36)(H,30,35)(H,31,37)/t20-,25+/s2
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US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170872
PNG
(US9085555, 300)
Show SMILES COc1ccc2n(cc(NC(=O)N3C4CC4C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(N)=O |r|
Show InChI InChI=1/C24H23ClFN5O4/c1-35-14-5-6-18-15(9-14)17(11-30(18)23(27)33)29-24(34)31-19-7-13(19)8-20(31)22(32)28-10-12-3-2-4-16(25)21(12)26/h2-6,9,11,13,19-20H,7-8,10H2,1H3,(H2,27,33)(H,28,32)(H,29,34)/t13?,19?,20-/s2
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US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171304
PNG
(US9085555, 734)
Show SMILES Cc1cc2c(nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc3cccc(Br)n3)c2cn1)C(N)=O |r|
Show InChI InChI=1/C21H20BrN7O3/c1-10-5-12-15(8-24-10)28(27-19(12)20(23)31)9-18(30)29-13-6-11(13)7-14(29)21(32)26-17-4-2-3-16(22)25-17/h2-5,8,11,13-14H,6-7,9H2,1H3,(H2,23,31)(H,25,26,32)/t11-,13-,14+/s2
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Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171314
PNG
(US9085555, 744)
Show SMILES C[C@]12C[C@H]1N([C@@H](C2)C(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc12 |r|
Show InChI InChI=1/C22H21BrN6O3/c1-22-9-14(21(32)26-17-8-4-7-16(23)25-17)29(15(22)10-22)18(30)11-28-13-6-3-2-5-12(13)19(27-28)20(24)31/h2-8,14-15H,9-11H2,1H3,(H2,24,31)(H,25,26,32)/t14-,15+,22-/s2
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Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171318
PNG
(US9085555, 748)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(OCc3ncccn3)cc12 |r|
Show InChI InChI=1/C27H24BrN7O4/c1-15(36)26-18-12-17(39-14-24-29-8-3-9-30-24)6-7-19(18)34(33-26)13-25(37)35-20-10-16(20)11-21(35)27(38)32-23-5-2-4-22(28)31-23/h2-9,12,16,20-21H,10-11,13-14H2,1H3,(H,31,32,38)/t16-,20-,21+/s2
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Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171319
PNG
(US9085555, 749)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1/C21H18BrClN6O3/c22-16-2-1-3-17(25-16)26-21(32)15-7-10-6-13(10)29(15)18(30)9-28-14-8-11(23)4-5-12(14)19(27-28)20(24)31/h1-5,8,10,13,15H,6-7,9H2,(H2,24,31)(H,25,26,32)/t10-,13-,15+/s2
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Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171334
PNG
(US9085555, 764)
Show SMILES NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc12 |r|
Show InChI InChI=1/C20H18BrFN6O3/c21-16-6-3-7-17(25-16)26-18(29)15-8-11(22)9-28(15)20(31)24-13-10-27(19(23)30)14-5-2-1-4-12(13)14/h1-7,10-11,15H,8-9H2,(H2,23,30)(H,24,31)(H,25,26,29)/t11-,15+/s2
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US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254471
PNG
(US9468661, 49)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccc(Cl)cc12)[C@H]1CC1(Cl)Cl |r|
Show InChI InChI=1/C21H22Cl3N5O3/c1-9(13-7-21(13,23)24)26-20(32)16-5-10-4-14(10)29(16)17(30)8-28-15-6-11(22)2-3-12(15)18(27-28)19(25)31/h2-3,6,9-10,13-14,16H,4-5,7-8H2,1H3,(H2,25,31)(H,26,32)/t9-,10-,13-,14-,16+/s2
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US Patent


Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


US Patent US9468661 (2016)


BindingDB Entry DOI: 10.7270/Q23N22B5
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254475
PNG
(US9468661, 53)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3ncccn3)c(C)cc12)[C@H]1CC1(Cl)Cl |r|
Show InChI InChI=1/C28H30Cl2N6O4/c1-14-7-21-18(10-23(14)40-13-24-31-5-4-6-32-24)26(16(3)37)34-35(21)12-25(38)36-20-8-17(20)9-22(36)27(39)33-15(2)19-11-28(19,29)30/h4-7,10,15,17,19-20,22H,8-9,11-13H2,1-3H3,(H,33,39)/t15-,17-,19-,20-,22+/s2
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Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


US Patent US9468661 (2016)


BindingDB Entry DOI: 10.7270/Q23N22B5
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254488
PNG
(US9468661, 66)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(C)=O)c2cc(OCc3ccn(C)n3)ccc12)[C@H]1CC1(Cl)Cl |r|
Show InChI InChI=1/C27H30Cl2N6O4/c1-14(20-11-27(20,28)29)30-26(38)23-9-16-8-22(16)35(23)24(37)12-34-21-5-4-18(10-19(21)25(32-34)15(2)36)39-13-17-6-7-33(3)31-17/h4-7,10,14,16,20,22-23H,8-9,11-13H2,1-3H3,(H,30,38)/t14-,16-,20-,22-,23+/s2
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US Patent


Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


US Patent US9468661 (2016)


BindingDB Entry DOI: 10.7270/Q23N22B5
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50151635
PNG
(8''-chloro-5''-(1H-1,2,3,4-tetraazol-5-ylmethoxy)s...)
Show SMILES Clc1ccc(OCc2nnn[nH]2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C15H17ClN6O2/c16-9-4-5-10(24-8-11-19-21-22-20-11)12-13(9)17-14(23)18-15(12)6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H2,17,18,23)(H,19,20,21,22)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170734
PNG
(US9085555, 162)
Show SMILES COCCOc1ccc2n(cc(NC(=O)N3C4CC4C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(N)=O |r|
Show InChI InChI=1/C26H27ClFN5O5/c1-37-7-8-38-16-5-6-20-17(11-16)19(13-32(20)25(29)35)31-26(36)33-21-9-15(21)10-22(33)24(34)30-12-14-3-2-4-18(27)23(14)28/h2-6,11,13,15,21-22H,7-10,12H2,1H3,(H2,29,35)(H,30,34)(H,31,36)/t15?,21?,22-/s2
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US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170866
PNG
(US9085555, 294)
Show SMILES NC(=O)n1cc(NC(=O)N2C3CC3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(F)ccc12 |r|
Show InChI InChI=1/C23H20ClF2N5O3/c24-15-3-1-2-11(20(15)26)9-28-21(32)19-7-12-6-18(12)31(19)23(34)29-16-10-30(22(27)33)17-5-4-13(25)8-14(16)17/h1-5,8,10,12,18-19H,6-7,9H2,(H2,27,33)(H,28,32)(H,29,34)/t12?,18?,19-/s2
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Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170934
PNG
(US9085555, 362)
Show SMILES NC(=O)n1cc(NC(=O)N2N=CC[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12 |r,c:10|
Show InChI InChI=1/C21H18ClFN6O3/c22-14-6-3-4-12(18(14)23)10-25-19(30)17-8-9-26-29(17)21(32)27-15-11-28(20(24)31)16-7-2-1-5-13(15)16/h1-7,9,11,17H,8,10H2,(H2,24,31)(H,25,30)(H,27,32)/t17-/s2
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US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170949
PNG
(US9085555, 379)
Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCCO)ccc12 |r|
Show InChI InChI=1/C25H25ClFN5O5/c26-17-3-1-2-13(22(17)27)11-29-23(34)21-9-14-8-20(14)32(21)25(36)30-18-12-31(24(28)35)19-5-4-15(10-16(18)19)37-7-6-33/h1-5,10,12,14,20-21,33H,6-9,11H2,(H2,28,35)(H,29,34)(H,30,36)/t14-,20-,21+/s2
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US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171208
PNG
(US9085555, 638)
Show SMILES CO[C@@H]1[C@@H](F)CN([C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1F)C(=O)Cn1nc(C(C)=O)c2cc(OCc3ncccn3)ccc12 |r|
Show InChI InChI=1/C29H25F5N6O6/c1-15(41)25-17-11-16(45-14-22-35-9-4-10-36-22)7-8-20(17)40(38-25)13-23(42)39-12-18(30)27(44-2)26(39)28(43)37-19-5-3-6-21(24(19)31)46-29(32,33)34/h3-11,18,26-27H,12-14H2,1-2H3,(H,37,43)/t18-,26-,27+/s2
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US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171255
PNG
(US9085555, 685)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2cnccc12 |r|
Show InChI InChI=1/C27H22ClFN6O3/c28-18-6-2-1-4-15(18)16-5-3-7-19(24(16)29)32-27(38)21-11-14-10-20(14)35(21)23(36)13-34-22-12-31-9-8-17(22)25(33-34)26(30)37/h1-9,12,14,20-21H,10-11,13H2,(H2,30,37)(H,32,38)/t14-,20-,21+/s2
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Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171311
PNG
(US9085555, 741 | US9085555, 757)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccccc12 |r|
Show InChI InChI=1/C21H19BrN6O3/c1-11(29)20-13-4-2-3-5-14(13)27(26-20)10-19(30)28-15-6-12(15)7-16(28)21(31)25-18-9-23-8-17(22)24-18/h2-5,8-9,12,15-16H,6-7,10H2,1H3,(H,24,25,31)/t12-,15-,16+/s2
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n/an/a 5n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171313
PNG
(US9085555, 743)
Show SMILES Cc1cc2c(nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc3cccc(Br)n3)c2c(C)n1)C(N)=O |r|
Show InChI InChI=1/C22H22BrN7O3/c1-10-6-13-19(21(24)32)28-29(20(13)11(2)25-10)9-18(31)30-14-7-12(14)8-15(30)22(33)27-17-5-3-4-16(23)26-17/h3-6,12,14-15H,7-9H2,1-2H3,(H2,24,32)(H,26,27,33)/t12-,14-,15+/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171315
PNG
(US9085555, 745)
Show SMILES Cc1cc2c(nn(CC(=O)N3[C@@H]4C[C@]4(C)C[C@H]3C(=O)Nc3cccc(Br)n3)c2cn1)C(N)=O |r|
Show InChI InChI=1/C22H22BrN7O3/c1-11-6-12-14(9-25-11)29(28-19(12)20(24)32)10-18(31)30-13(7-22(2)8-15(22)30)21(33)27-17-5-3-4-16(23)26-17/h3-6,9,13,15H,7-8,10H2,1-2H3,(H2,24,32)(H,26,27,33)/t13-,15+,22-/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171324
PNG
(US9085555, 754)
Show SMILES CO[C@@H]1[C@@H](F)CN([C@@H]1C(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc12 |r|
Show InChI InChI=1/C21H20BrFN6O4/c1-33-19-12(23)9-28(18(19)21(32)26-15-8-4-7-14(22)25-15)16(30)10-29-13-6-3-2-5-11(13)17(27-29)20(24)31/h2-8,12,18-19H,9-10H2,1H3,(H2,24,31)(H,25,26,32)/t12-,18-,19+/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171332
PNG
(US9085555, 762)
Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc12 |r|
Show InChI InChI=1/C21H19BrN6O3/c22-17-6-3-7-18(25-17)26-19(29)16-9-11-8-15(11)28(16)21(31)24-13-10-27(20(23)30)14-5-2-1-4-12(13)14/h1-7,10-11,15-16H,8-9H2,(H2,23,30)(H,24,31)(H,25,26,29)/t11-,15-,16+/s2
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NOVARTIS AG

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Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM254528
PNG
(US9468661, 106)
Show SMILES CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c2ccc(OCc3nccs3)cc12 |r|
Show InChI InChI=1/C25H25Cl2N5O4S/c1-13(33)23-17-8-16(36-12-21-28-4-5-37-21)2-3-18(17)31(30-23)11-22(34)32-19-6-14(19)7-20(32)24(35)29-10-15-9-25(15,26)27/h2-5,8,14-15,19-20H,6-7,9-12H2,1H3,(H,29,35)/t14-,15-,19-,20+/s2
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Novartis AG

US Patent


Assay Description
Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compoun...


US Patent US9468661 (2016)


BindingDB Entry DOI: 10.7270/Q23N22B5
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171350
PNG
(1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc12
Show InChI InChI=1S/C21H19BrN6O3/c22-16-6-3-7-17(24-16)25-21(31)15-9-11-8-14(11)28(15)18(29)10-27-13-5-2-1-4-12(13)19(26-27)20(23)30/h1-7,11,14-15H,8-10H2,(H2,23,30)(H,24,25,31)/t11-,14-,15+/m1/s1
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Novartis Pharma AG, Novartis Institutes for BioMedical Research , Novartis Campus, CH-4056 Basel, Switzerland.

Curated by ChEMBL


Assay Description
Evaluated for the Non-competitive inhibition constant Ki against TdR varied rat cytoplasmic soluble thymidine kinase


J Med Chem 60: 5717-5735 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00425
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170705
PNG
(US9085555, 133)
Show SMILES COC(=O)COc1ccc2n(cc(NC(=O)N3C4CC4C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1)C(N)=O |r|
Show InChI InChI=1/C26H25ClFN5O6/c1-38-22(34)12-39-15-5-6-19-16(9-15)18(11-32(19)25(29)36)31-26(37)33-20-7-14(20)8-21(33)24(35)30-10-13-3-2-4-17(27)23(13)28/h2-6,9,11,14,20-21H,7-8,10,12H2,1H3,(H2,29,36)(H,30,35)(H,31,37)/t14?,20?,21-/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170750
PNG
(US9085555, 178)
Show SMILES NC(=O)n1cc(NC(=O)N2CCS[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12 |r|
Show InChI InChI=1/C21H19ClFN5O3S/c22-14-6-3-4-12(17(14)23)10-25-18(29)19-27(8-9-32-19)21(31)26-15-11-28(20(24)30)16-7-2-1-5-13(15)16/h1-7,11,19H,8-10H2,(H2,24,30)(H,25,29)(H,26,31)/t19-/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM170775
PNG
(US9085555, 203)
Show SMILES NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](CO)c2cccc(Cl)c2F)c2ccccc12 |r|
Show InChI InChI=1/C24H23ClFN5O4/c25-15-6-3-5-14(21(15)26)17(11-32)28-22(33)20-9-12-8-19(12)31(20)24(35)29-16-10-30(23(27)34)18-7-2-1-4-13(16)18/h1-7,10,12,17,19-20,32H,8-9,11H2,(H2,27,34)(H,28,33)(H,29,35)/t12-,17-,19-,20+/s2
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NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171236
PNG
(US9085555, 666)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OCc3ncccn3)cc12 |r|
Show InChI InChI=1/C30H27ClFN5O4/c1-17(38)22-14-36(24-7-6-20(12-21(22)24)41-16-27-33-8-3-9-34-27)15-28(39)37-25-10-19(25)11-26(37)30(40)35-13-18-4-2-5-23(31)29(18)32/h2-9,12,14,19,25-26H,10-11,13,15-16H2,1H3,(H,35,40)/t19-,25-,26+/s2
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Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171263
PNG
(US9085555, 693)
Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccnc(C)c12)c1cccc(Cl)c1F |r|
Show InChI InChI=1/C24H24ClFN6O3/c1-11(14-4-3-5-16(25)20(14)26)29-24(35)18-9-13-8-17(13)32(18)19(33)10-31-22-12(2)28-7-6-15(22)21(30-31)23(27)34/h3-7,11,13,17-18H,8-10H2,1-2H3,(H2,27,34)(H,29,35)/t11-,13-,17-,18+/s2
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Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM171270
PNG
(US9085555, 700)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnc(cc12)C1CC1 |r|
Show InChI InChI=1/C25H24ClFN6O3/c26-16-3-1-2-13(22(16)27)9-30-25(36)19-7-14-6-18(14)33(19)21(34)11-32-20-10-29-17(12-4-5-12)8-15(20)23(31-32)24(28)35/h1-3,8,10,12,14,18-19H,4-7,9,11H2,(H2,28,35)(H,30,36)/t14-,18-,19+/s2
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US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair
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