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Compile Data Set for Download or QSAR

Found 642 hits with Last Name = 'pais' and Initial = 'g'   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50103243
PNG
(4-{2-[2-(2-Acetylamino-3-carboxy-propionylamino)-p...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(C)NC(=O)C(CC(O)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C34H48F2N7O16P/c1-15(2)11-21(28(37)51)41-32(55)22(12-18-5-7-19(8-6-18)34(35,36)60(57,58)59)43-30(53)20(9-10-25(45)46)40-33(56)24(14-27(49)50)42-29(52)16(3)38-31(54)23(13-26(47)48)39-17(4)44/h5-8,15-16,20-24H,9-14H2,1-4H3,(H2,37,51)(H,38,54)(H,39,44)(H,40,56)(H,41,55)(H,42,52)(H,43,53)(H,45,46)(H,47,48)(H,49,50)(H2,57,58,59)/t16?,20?,21?,22-,23?,24?/m0/s1
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200n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)


J Med Chem 44: 2869-78 (2001)


Article DOI: 10.1021/jm010020r
BindingDB Entry DOI: 10.7270/Q237781C
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50103235
PNG
(5-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(C)NC(=O)C(CC(O)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C36H49N7O18/c1-15(2)9-21(30(37)53)41-34(57)22(11-18-5-7-25(61-14-29(51)52)19(10-18)36(59)60)43-32(55)20(6-8-26(45)46)40-35(58)24(13-28(49)50)42-31(54)16(3)38-33(56)23(12-27(47)48)39-17(4)44/h5,7,10,15-16,20-24H,6,8-9,11-14H2,1-4H3,(H2,37,53)(H,38,56)(H,39,44)(H,40,58)(H,41,57)(H,42,54)(H,43,55)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,59,60)/t16?,20?,21?,22-,23?,24?/m0/s1
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3.60E+3n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)


J Med Chem 44: 2869-78 (2001)


Article DOI: 10.1021/jm010020r
BindingDB Entry DOI: 10.7270/Q237781C
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50103240
PNG
(4-Carbamoyl-4-{[6-(difluoro-phosphono-methyl)-naph...)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C17H17F2N2O7P/c18-17(19,29(26,27)28)12-4-3-9-7-11(2-1-10(9)8-12)16(25)21-13(15(20)24)5-6-14(22)23/h1-4,7-8,13H,5-6H2,(H2,20,24)(H,21,25)(H,22,23)(H2,26,27,28)/t13-/m1/s1
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1.20E+4n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)


J Med Chem 44: 2869-78 (2001)


Article DOI: 10.1021/jm010020r
BindingDB Entry DOI: 10.7270/Q237781C
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50103227
PNG
(6-(Difluoro-phosphono-methyl)-naphthalene-2-carbox...)
Show SMILES OC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)
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2.20E+4n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)


J Med Chem 44: 2869-78 (2001)


Article DOI: 10.1021/jm010020r
BindingDB Entry DOI: 10.7270/Q237781C
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50103238
PNG
(3-Carboxymethoxy-naphthalene-2,7-dicarboxylic acid...)
Show SMILES OC(=O)COc1cc2ccc(cc2cc1C(O)=O)C(O)=O
Show InChI InChI=1S/C14H10O7/c15-12(16)6-21-11-5-7-1-2-8(13(17)18)3-9(7)4-10(11)14(19)20/h1-5H,6H2,(H,15,16)(H,17,18)(H,19,20)
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2.50E+5n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)


J Med Chem 44: 2869-78 (2001)


Article DOI: 10.1021/jm010020r
BindingDB Entry DOI: 10.7270/Q237781C
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50103234
PNG
(2-Carboxymethoxy-naphthalene-1,6-dicarboxylic acid...)
Show SMILES OC(=O)COc1ccc2cc(ccc2c1C(O)=O)C(O)=O
Show InChI InChI=1S/C14H10O7/c15-11(16)6-21-10-4-2-7-5-8(13(17)18)1-3-9(7)12(10)14(19)20/h1-5H,6H2,(H,15,16)(H,17,18)(H,19,20)
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9.00E+5n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)


J Med Chem 44: 2869-78 (2001)


Article DOI: 10.1021/jm010020r
BindingDB Entry DOI: 10.7270/Q237781C
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50103231
PNG
(CHEMBL98615 | Naphthalene-2,7-dicarboxylic acid)
Show SMILES OC(=O)c1ccc2ccc(cc2c1)C(O)=O
Show InChI InChI=1S/C12H8O4/c13-11(14)8-3-1-7-2-4-9(12(15)16)6-10(7)5-8/h1-6H,(H,13,14)(H,15,16)
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>3.20E+6n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)


J Med Chem 44: 2869-78 (2001)


Article DOI: 10.1021/jm010020r
BindingDB Entry DOI: 10.7270/Q237781C
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50103242
PNG
(CHEMBL316894 | Naphthalene trisulfonate (NTS) | na...)
Show SMILES [O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3
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>4.00E+6n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)


J Med Chem 44: 2869-78 (2001)


Article DOI: 10.1021/jm010020r
BindingDB Entry DOI: 10.7270/Q237781C
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50125697
PNG
(4-(3,4-Bis-azidomethyl-phenyl)-2,4-dioxo-butyric a...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(CN=[N+]=[N-])c(CN=[N+]=[N-])c1
Show InChI InChI=1S/C12H10N6O4/c13-17-15-5-8-2-1-7(3-9(8)6-16-18-14)10(19)4-11(20)12(21)22/h1-3H,4-6H2,(H,21,22)
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n/an/a 150n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Recombinant HIV-1 integrase (Standard transfer reaction)


Bioorg Med Chem Lett 13: 1215-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00059-3
BindingDB Entry DOI: 10.7270/Q23J3CB7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50125697
PNG
(4-(3,4-Bis-azidomethyl-phenyl)-2,4-dioxo-butyric a...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(CN=[N+]=[N-])c(CN=[N+]=[N-])c1
Show InChI InChI=1S/C12H10N6O4/c13-17-15-5-8-2-1-7(3-9(8)6-16-18-14)10(19)4-11(20)12(21)22/h1-3H,4-6H2,(H,21,22)
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n/an/a 260n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Recombinant HIV-1 integrase (3'processing)


Bioorg Med Chem Lett 13: 1215-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00059-3
BindingDB Entry DOI: 10.7270/Q23J3CB7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50125701
PNG
(4-(5,8-Diazido-5,6,7,8-tetrahydro-naphthalen-2-yl)...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc2C(CCC(N=[N+]=[N-])c2c1)N=[N+]=[N-]
Show InChI InChI=1S/C14H12N6O4/c15-19-17-10-3-4-11(18-20-16)9-5-7(1-2-8(9)10)12(21)6-13(22)14(23)24/h1-2,5,10-11H,3-4,6H2,(H,23,24)
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n/an/a 320n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Recombinant HIV-1 integrase (Standard transfer reaction)


Bioorg Med Chem Lett 13: 1215-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00059-3
BindingDB Entry DOI: 10.7270/Q23J3CB7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115572
PNG
((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)
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n/an/a 350n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay


J Med Chem 45: 3184-94 (2002)


Article DOI: 10.1021/jm020037p
BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115572
PNG
((Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-e...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)
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n/an/a 350n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Recombinant HIV-1 integrase (Standard transfer reaction)


Bioorg Med Chem Lett 13: 1215-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00059-3
BindingDB Entry DOI: 10.7270/Q23J3CB7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50125699
PNG
(4-(1,3-Diazido-indan-5-yl)-2,4-dioxo-butyric acid ...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc2C(CC(N=[N+]=[N-])c2c1)N=[N+]=[N-]
Show InChI InChI=1S/C13H10N6O4/c14-18-16-9-4-10(17-19-15)8-3-6(1-2-7(8)9)11(20)5-12(21)13(22)23/h1-3,9-10H,4-5H2,(H,22,23)
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n/an/a 360n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Recombinant HIV-1 integrase (Standard transfer reaction)


Bioorg Med Chem Lett 13: 1215-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00059-3
BindingDB Entry DOI: 10.7270/Q23J3CB7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM107681
PNG
((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...)
Show SMILES OC(=O)C(=O)CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
Show InChI InChI=1S/C24H20O6/c25-22(14-23(26)24(27)28)19-11-20(29-15-17-7-3-1-4-8-17)13-21(12-19)30-16-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,27,28)
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n/an/a 480n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Recombinant HIV-1 integrase (Standard transfer reaction)


Bioorg Med Chem Lett 13: 1215-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00059-3
BindingDB Entry DOI: 10.7270/Q23J3CB7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM107681
PNG
((2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxo...)
Show SMILES OC(=O)C(=O)CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
Show InChI InChI=1S/C24H20O6/c25-22(14-23(26)24(27)28)19-11-20(29-15-17-7-3-1-4-8-17)13-21(12-19)30-16-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,27,28)
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n/an/a 480n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay


J Med Chem 45: 3184-94 (2002)


Article DOI: 10.1021/jm020037p
BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM107693
PNG
((2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut...)
Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C12H8ClNO4/c13-6-1-2-9-7(3-6)8(5-14-9)10(15)4-11(16)12(17)18/h1-3,5,14H,4H2,(H,17,18)
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n/an/a 520n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay


J Med Chem 45: 3184-94 (2002)


Article DOI: 10.1021/jm020037p
BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50093435
PNG
((Z)-1-(5-Chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-tet...)
Show SMILES Clc1ccc2[nH]cc(C(=O)CC(=O)c3nnn[nH]3)c2c1
Show InChI InChI=1S/C12H8ClN5O2/c13-6-1-2-9-7(3-6)8(5-14-9)10(19)4-11(20)12-15-17-18-16-12/h1-3,5,14H,4H2,(H,15,16,17,18)
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n/an/a 650n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay


J Med Chem 45: 3184-94 (2002)


Article DOI: 10.1021/jm020037p
BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50056891
PNG
(2-Hydroxy-benzoic acid N'-(2-hydroxy-benzoyl)-hydr...)
Show SMILES Oc1ccccc1C(=O)NNC(=O)c1ccccc1O
Show InChI InChI=1S/C14H12N2O4/c17-11-7-3-1-5-9(11)13(19)15-16-14(20)10-6-2-4-8-12(10)18/h1-8,17-18H,(H,15,19)(H,16,20)
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n/an/a 700n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase (preincubated with Mn+2, and drug for 30 min followed by DNA for 1h) in strand transfer of preassemble


J Med Chem 45: 5661-70 (2002)


Article DOI: 10.1021/jm0201417
BindingDB Entry DOI: 10.7270/Q2M61JMB
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50370120
PNG
(CHEMBL611459)
Show SMILES OC(=O)C(=O)CC(=O)C1=CC=CC1
Show InChI InChI=1S/C9H8O4/c10-7(5-8(11)9(12)13)6-3-1-2-4-6/h1-3H,4-5H2,(H,12,13)
PDB
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n/an/a 810n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay


J Med Chem 45: 3184-94 (2002)


Article DOI: 10.1021/jm020037p
BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354222
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(6-methylpyridin-3- yl)-...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1ccc(C)nc1
Show InChI InChI=1S/C28H25BrFN5O3/c1-16-6-7-19(12-31-16)18-8-9-23-21(10-18)22(17(2)36)14-34(23)15-27(37)35-13-20(30)11-24(35)28(38)33-26-5-3-4-25(29)32-26/h3-10,12,14,20,24H,11,13,15H2,1-2H3,(H,32,33,38)/t20-,24+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354223
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(6-methylpyridazin-4- yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnnc(C)c1
Show InChI InChI=1S/C34H28ClF2N5O3/c1-19-12-22(15-38-40-19)21-10-11-30-26(13-21)27(20(2)43)17-41(30)18-32(44)42-16-23(36)14-31(42)34(45)39-29-9-5-7-25(33(29)37)24-6-3-4-8-28(24)35/h3-13,15,17,23,31H,14,16,18H2,1-2H3,(H,39,45)/t23-,31+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354229
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C25H21BrFN7O3/c1-14(35)19-12-33(20-3-2-15(6-18(19)20)16-4-5-29-30-8-16)13-24(36)34-11-17(27)7-21(34)25(37)32-23-10-28-9-22(26)31-23/h2-6,8-10,12,17,21H,7,11,13H2,1H3,(H,31,32,37)/t17-,21+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354188
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)n2)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C23H19BrFN9O3/c24-18-8-27-9-19(30-18)31-23(37)17-6-14(25)10-33(17)20(35)11-34-16-2-1-12(13-3-4-28-29-7-13)5-15(16)21(32-34)22(26)36/h1-5,7-9,14,17H,6,10-11H2,(H2,26,36)(H,30,31,37)/t14-,17+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354234
PNG
((1R,3S,5R)-2-(2-(3- acetyl-5-(2- methylpyrimidin-5...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C28H25BrN6O3/c1-15(36)21-13-34(22-7-6-17(8-20(21)22)19-11-30-16(2)31-12-19)14-27(37)35-23-9-18(23)10-24(35)28(38)33-26-5-3-4-25(29)32-26/h3-8,11-13,18,23-24H,9-10,14H2,1-2H3,(H,32,33,38)/t18-,23-,24+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354236
PNG
((1R,3S,5R)-2-(2-(3- acetyl-5-(2- methylpyrimidin-5...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C35H29ClFN5O3/c1-19(43)27-17-41(30-11-10-21(12-26(27)30)23-15-38-20(2)39-16-23)18-33(44)42-31-13-22(31)14-32(42)35(45)40-29-9-5-7-25(34(29)37)24-6-3-4-8-28(24)36/h3-12,15-17,22,31-32H,13-14,18H2,1-2H3,(H,40,45)/t22-,31-,32+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354237
PNG
((1R,3S,5R)-2-(2-(3- acetyl-5-(2- methylpyrimidin-5...)
Show SMILES CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C30H27ClFN5O3/c1-16(38)23-14-36(25-7-6-18(8-22(23)25)21-12-33-17(2)34-13-21)15-28(39)37-26-9-20(26)10-27(37)30(40)35-11-19-4-3-5-24(31)29(19)32/h3-8,12-14,20,26-27H,9-11,15H2,1-2H3,(H,35,40)/t20-,26-,27+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354238
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C29H26ClF2N5O3/c1-16(38)23-14-36(25-7-6-18(8-22(23)25)20-11-33-17(2)34-12-20)15-27(39)37-13-21(31)9-26(37)29(40)35-10-19-4-3-5-24(30)28(19)32/h3-8,11-12,14,21,26H,9-10,13,15H2,1-2H3,(H,35,40)/t21-,26+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354239
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2- methoxypyrimidin-5- ...)
Show SMILES COc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)cc(C(C)=O)c2c1
Show InChI InChI=1S/C29H26ClF2N5O4/c1-16(38)22-14-36(24-7-6-17(8-21(22)24)19-11-34-29(41-2)35-12-19)15-26(39)37-13-20(31)9-25(37)28(40)33-10-18-4-3-5-23(30)27(18)32/h3-8,11-12,14,20,25H,9-10,13,15H2,1-2H3,(H,33,40)/t20-,25+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354240
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C27H24ClFN6O3/c1-15(36)21-13-34(22-7-6-17(8-20(21)22)18-10-30-16(2)31-11-18)14-26(37)35-12-19(29)9-23(35)27(38)33-25-5-3-4-24(28)32-25/h3-8,10-11,13,19,23H,9,12,14H2,1-2H3,(H,32,33,38)/t19-,23+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354241
PNG
((2S,4R)-1-(2-(5-(2- acetamidopyrimidin-5- yl)-3-ac...)
Show SMILES CC(=O)Nc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c2c1
Show InChI InChI=1S/C35H29ClF2N6O4/c1-19(45)27-17-43(30-11-10-21(12-26(27)30)22-14-39-35(40-15-22)41-20(2)46)18-32(47)44-16-23(37)13-31(44)34(48)42-29-9-5-7-25(33(29)38)24-6-3-4-8-28(24)36/h3-12,14-15,17,23,31H,13,16,18H2,1-2H3,(H,42,48)(H,39,40,41,46)/t23-,31+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354251
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(6-methylpyridazin-3- yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1ccc(C)nn1
Show InChI InChI=1S/C27H24BrFN6O3/c1-15-6-8-21(33-32-15)17-7-9-22-19(10-17)20(16(2)36)13-34(22)14-26(37)35-12-18(29)11-23(35)27(38)31-25-5-3-4-24(28)30-25/h3-10,13,18,23H,11-12,14H2,1-2H3,(H,30,31,38)/t18-,23+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354252
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2Cl)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C34H28Cl2FN5O3/c1-19(43)27-17-41(30-11-10-21(12-26(27)30)22-14-38-20(2)39-15-22)18-32(44)42-16-23(37)13-31(42)34(45)40-29-9-5-7-25(33(29)36)24-6-3-4-8-28(24)35/h3-12,14-15,17,23,31H,13,16,18H2,1-2H3,(H,40,45)/t23-,31+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354253
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2cc(F)c(F)cc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C34H26ClF4N5O3/c1-17(45)25-15-43(30-7-6-19(8-24(25)30)20-12-40-18(2)41-13-20)16-32(46)44-14-21(36)9-31(44)34(47)42-29-5-3-4-22(33(29)39)23-10-27(37)28(38)11-26(23)35/h3-8,10-13,15,21,31H,9,14,16H2,1-2H3,(H,42,47)/t21-,31+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354254
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(6-methylpyridin-3- yl)-...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1ccc(C)nc1
Show InChI InChI=1S/C35H29ClF2N4O3/c1-20-10-11-23(16-39-20)22-12-13-31-27(14-22)28(21(2)43)18-41(31)19-33(44)42-17-24(37)15-32(42)35(45)40-30-9-5-7-26(34(30)38)25-6-3-4-8-29(25)36/h3-14,16,18,24,32H,15,17,19H2,1-2H3,(H,40,45)/t24-,32+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354264
PNG
((2R,4S)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@@H](F)C[C@@H]2C(=O)NC2CCCN(C2=O)c2ccccc2Cl)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C32H30ClFN6O4/c1-19(41)24-17-38(27-9-8-20(13-23(24)27)21-10-11-35-36-15-21)18-30(42)40-16-22(34)14-29(40)31(43)37-26-6-4-12-39(32(26)44)28-7-3-2-5-25(28)33/h2-3,5,7-11,13,15,17,22,26,29H,4,6,12,14,16,18H2,1H3,(H,37,43)/t22-,26?,29+/m0/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354266
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C33H27ClF2N6O3/c1-18(43)32-25-12-20(21-14-37-19(2)38-15-21)10-11-28(25)42(40-32)17-30(44)41-16-22(35)13-29(41)33(45)39-27-9-5-7-24(31(27)36)23-6-3-4-8-26(23)34/h3-12,14-15,22,29H,13,16-17H2,1-2H3,(H,39,45)/t22-,29+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354267
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ncccc2Cl)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C33H27ClF2N6O3/c1-18(43)25-16-41(28-9-8-20(11-24(25)28)21-13-38-19(2)39-14-21)17-30(44)42-15-22(35)12-29(42)33(45)40-27-7-3-5-23(31(27)36)32-26(34)6-4-10-37-32/h3-11,13-14,16,22,29H,12,15,17H2,1-2H3,(H,40,45)/t22-,29+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354268
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-methylpyrimidin- 5-yl...)
Show SMILES CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354269
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(pyridazin-4-yl)-1H- ind...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2noc(n2)-c2ccccc2Cl)c2ccc(cc12)-c1ccnnc1
Show InChI InChI=1S/C29H23ClFN7O4/c1-16(39)22-14-37(24-7-6-17(10-21(22)24)18-8-9-32-33-12-18)15-26(40)38-13-19(31)11-25(38)27(41)34-29-35-28(42-36-29)20-4-2-3-5-23(20)30/h2-10,12,14,19,25H,11,13,15H2,1H3,(H,34,36,41)/t19-,25+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354270
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-hydroxypyrimidin- 5-y...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(cc12)-c1cnc(O)nc1
Show InChI InChI=1S/C33H26ClF2N5O4/c1-18(42)25-16-40(28-10-9-19(11-24(25)28)20-13-37-33(45)38-14-20)17-30(43)41-15-21(35)12-29(41)32(44)39-27-8-4-6-23(31(27)36)22-5-2-3-7-26(22)34/h2-11,13-14,16,21,29H,12,15,17H2,1H3,(H,39,44)(H,37,38,45)/t21-,29+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354271
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-(2- methoxyethylamino...)
Show SMILES COCCNc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c2c1
Show InChI InChI=1S/C36H33ClF2N6O4/c1-21(46)28-19-44(31-11-10-22(14-27(28)31)23-16-41-36(42-17-23)40-12-13-49-2)20-33(47)45-18-24(38)15-32(45)35(48)43-30-9-5-7-26(34(30)39)25-6-3-4-8-29(25)37/h3-11,14,16-17,19,24,32H,12-13,15,18,20H2,1-2H3,(H,43,48)(H,40,41,42)/t24-,32+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM354272
PNG
((2S,4R)-1-(2-(3-acetyl- 5-(2-(methylamino) pyrimid...)
Show SMILES CNc1ncc(cn1)-c1ccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c2c1
Show InChI InChI=1S/C34H29ClF2N6O3/c1-19(44)26-17-42(29-11-10-20(12-25(26)29)21-14-39-34(38-2)40-15-21)18-31(45)43-16-22(36)13-30(43)33(46)41-28-9-5-7-24(32(28)37)23-6-3-4-8-27(23)35/h3-12,14-15,17,22,30H,13,16,18H2,1-2H3,(H,41,46)(H,38,39,40)/t22-,30+/m1/s1
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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 US9796741 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335546
PNG
((2S,4R)-1-(2-(3-acetyl-5-(2- cyanopyrimidin-5-ylox...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3cnc(nc3)C#N)cc12
Show InChI InChI=1S/C34H25ClF2N6O4/c1-19(44)26-17-42(29-10-9-21(12-25(26)29)47-22-14-39-31(13-38)40-15-22)18-32(45)43-16-20(36)11-30(43)34(46)41-28-8-4-6-24(33(28)37)23-5-2-3-7-27(23)35/h2-10,12,14-15,17,20,30H,11,16,18H2,1H3,(H,41,46)/t20-,30+/m1/s1
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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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335547
PNG
((2S,4R)-1-(2-(3-acetyl-5-(5- fluoropyrimidin-2-ylo...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3ncc(F)cn3)cc12
Show InChI InChI=1S/C33H25ClF3N5O4/c1-18(43)25-16-41(28-10-9-21(12-24(25)28)46-33-38-13-20(36)14-39-33)17-30(44)42-15-19(35)11-29(42)32(45)40-27-8-4-6-23(31(27)37)22-5-2-3-7-26(22)34/h2-10,12-14,16,19,29H,11,15,17H2,1H3,(H,40,45)/t19-,29+/m1/s1
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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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335548
PNG
((2S,4R)-1-(2-(3-acetyl-5- (pyrimidin-2-yloxy)-1H- ...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3ncccn3)cc12
Show InChI InChI=1S/C33H26ClF2N5O4/c1-19(42)25-17-40(28-11-10-21(15-24(25)28)45-33-37-12-5-13-38-33)18-30(43)41-16-20(35)14-29(41)32(44)39-27-9-4-7-23(31(27)36)22-6-2-3-8-26(22)34/h2-13,15,17,20,29H,14,16,18H2,1H3,(H,39,44)/t20-,29+/m1/s1
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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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335549
PNG
((2S,4R)-1-(2-(3-acetyl-5- (pyrimidin-2-yloxy)-1H- ...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(Oc3ncccn3)cc12
Show InChI InChI=1S/C26H22BrFN6O4/c1-15(35)19-13-33(20-7-6-17(11-18(19)20)38-26-29-8-3-9-30-26)14-24(36)34-12-16(28)10-21(34)25(37)32-23-5-2-4-22(27)31-23/h2-9,11,13,16,21H,10,12,14H2,1H3,(H,31,32,37)/t16-,21+/m1/s1
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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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335550
PNG
((2S,4R)-1-(2-(3-acetyl-5-(5- methylpyrimidin-2-ylo...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3ncc(C)cn3)cc12
Show InChI InChI=1S/C34H28ClF2N5O4/c1-19-14-38-34(39-15-19)46-22-10-11-29-25(13-22)26(20(2)43)17-41(29)18-31(44)42-16-21(36)12-30(42)33(45)40-28-9-5-7-24(32(28)37)23-6-3-4-8-27(23)35/h3-11,13-15,17,21,30H,12,16,18H2,1-2H3,(H,40,45)/t21-,30+/m1/s1
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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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335551
PNG
((2S,4R)-1-(2-(3-acetyl-5-(5- methylpyrimidin-2-ylo...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(Oc3ncc(C)cn3)cc12
Show InChI InChI=1S/C27H24BrFN6O4/c1-15-10-30-27(31-11-15)39-18-6-7-21-19(9-18)20(16(2)36)13-34(21)14-25(37)35-12-17(29)8-22(35)26(38)33-24-5-3-4-23(28)32-24/h3-7,9-11,13,17,22H,8,12,14H2,1-2H3,(H,32,33,38)/t17-,22+/m1/s1
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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 US9732104 (2017)

More data for this
Ligand-Target Pair
Factor D


(Homo sapiens (Human))
BDBM335552
PNG
((2S,4R)-1-(2-(3-acetyl-5-(5- (trifluoromethyl)pyri...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)c2ccc(Oc3ncc(cn3)C(F)(F)F)cc12
Show InChI InChI=1S/C34H25ClF5N5O4/c1-18(46)25-16-44(28-10-9-21(12-24(25)28)49-33-41-13-19(14-42-33)34(38,39)40)17-30(47)45-15-20(36)11-29(45)32(48)43-27-8-4-6-23(31(27)37)22-5-2-3-7-26(22)35/h2-10,12-14,16,20,29H,11,15,17H2,1H3,(H,43,48)/t20-,29+/m1/s1
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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 US9732104 (2017)

More data for this
Ligand-Target Pair
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