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Patent code US10138242

Compile Data Set for Download or QSAR

Found 229 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
PEX14-PEX5


(Homo sapiens (Human))
BDBM304006
PNG
(US10138242, Compound 95)
Show SMILES CNCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccc(OC)c4ccccc34)CCc12
Show InChI InChI=1S/C33H35N5O2/c1-34-17-19-38-30-16-18-37(21-25-14-15-31(40-2)28-13-6-5-12-27(25)28)22-29(30)32(36-38)33(39)35-20-24-10-7-9-23-8-3-4-11-26(23)24/h3-15,34H,16-22H2,1-2H3,(H,35,39)
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 140n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304008
PNG
(US10138242, Compound 97)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCN)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C32H33N5O2/c1-39-30-14-13-24(26-11-4-5-12-27(26)30)20-36-17-15-29-28(21-36)31(35-37(29)18-16-33)32(38)34-19-23-9-6-8-22-7-2-3-10-25(22)23/h2-14H,15-21,33H2,1H3,(H,34,38)
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 160n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304005
PNG
(US10138242, Compound 94)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCNC(N)=N)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C33H35N7O2/c1-42-30-14-13-24(26-11-4-5-12-27(26)30)20-39-17-15-29-28(21-39)31(38-40(29)18-16-36-33(34)35)32(41)37-19-23-9-6-8-22-7-2-3-10-25(22)23/h2-14H,15-21H2,1H3,(H,37,41)(H4,34,35,36)
PDB

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US Patent
n/an/a 220n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303951
PNG
(US10138242, Compound 37)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3-c2ccccc2)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C36H32N4O2/c1-42-34-19-18-27(30-16-7-8-17-31(30)34)23-39-21-20-33-32(24-39)35(38-40(33)28-13-3-2-4-14-28)36(41)37-22-26-12-9-11-25-10-5-6-15-29(25)26/h2-19H,20-24H2,1H3,(H,37,41)
PDB

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US Patent
n/an/a 240n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304007
PNG
(US10138242, Compound 96)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCn2ccnc2)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C35H34N6O2/c1-43-33-14-13-27(29-11-4-5-12-30(29)33)22-40-17-15-32-31(23-40)34(38-41(32)20-19-39-18-16-36-24-39)35(42)37-21-26-9-6-8-25-7-2-3-10-28(25)26/h2-14,16,18,24H,15,17,19-23H2,1H3,(H,37,42)
PDB

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US Patent
n/an/a 250n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304009
PNG
(US10138242, Compound 98)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCNC(C)C)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C35H39N5O2/c1-24(2)36-18-20-40-32-17-19-39(22-27-15-16-33(42-3)30-14-7-6-13-29(27)30)23-31(32)34(38-40)35(41)37-21-26-11-8-10-25-9-4-5-12-28(25)26/h4-16,24,36H,17-23H2,1-3H3,(H,37,41)
PDB

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US Patent
n/an/a 300n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304010
PNG
(US10138242, Compound 99)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCNC(C)(C)CO)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C36H41N5O3/c1-36(2,24-42)38-18-20-41-32-17-19-40(22-27-15-16-33(44-3)30-14-7-6-13-29(27)30)23-31(32)34(39-41)35(43)37-21-26-11-8-10-25-9-4-5-12-28(25)26/h4-16,38,42H,17-24H2,1-3H3,(H,37,43)
PDB

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US Patent
n/an/a 300n/an/an/an/an/an/a



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US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304012
PNG
(US10138242, Compound 101)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3C2CNC2)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C33H33N5O2/c1-40-31-14-13-24(27-11-4-5-12-28(27)31)20-37-16-15-30-29(21-37)32(36-38(30)25-18-34-19-25)33(39)35-17-23-9-6-8-22-7-2-3-10-26(22)23/h2-14,25,34H,15-21H2,1H3,(H,35,39)
PDB

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US Patent
n/an/a 420n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304011
PNG
(US10138242, Compound 100)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCN)C(=O)NCc2cccc3ccccc23)c2CCCCc12
Show InChI InChI=1S/C32H37N5O2/c1-39-30-14-13-24(26-11-4-5-12-27(26)30)20-36-17-15-29-28(21-36)31(35-37(29)18-16-33)32(38)34-19-23-9-6-8-22-7-2-3-10-25(22)23/h2-3,6-10,13-14H,4-5,11-12,15-21,33H2,1H3,(H,34,38)
PDB

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US Patent
n/an/a 570n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304015
PNG
(US10138242, Compound 104)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CC(O)CN)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C33H35N5O3/c1-41-31-14-13-24(27-11-4-5-12-28(27)31)19-37-16-15-30-29(21-37)32(36-38(30)20-25(39)17-34)33(40)35-18-23-9-6-8-22-7-2-3-10-26(22)23/h2-14,25,39H,15-21,34H2,1H3,(H,35,40)
PDB

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US Patent
n/an/a 620n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304013
PNG
(US10138242, Compound 102)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCN(C)C)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H37N5O2/c1-37(2)19-20-39-31-17-18-38(22-26-15-16-32(41-3)29-14-7-6-13-28(26)29)23-30(31)33(36-39)34(40)35-21-25-11-8-10-24-9-4-5-12-27(24)25/h4-16H,17-23H2,1-3H3,(H,35,40)
PDB

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PC sid
UniChem
US Patent
n/an/a 850n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303952
PNG
(US10138242, Compound 38)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccc(cc3)-c3ccccc3)CCc12
Show InChI InChI=1S/C33H32N4O2/c38-20-19-37-31-17-18-36(22-24-13-15-26(16-14-24)25-7-2-1-3-8-25)23-30(31)32(35-37)33(39)34-21-28-11-6-10-27-9-4-5-12-29(27)28/h1-16,38H,17-23H2,(H,34,39)
PDB

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US Patent
n/an/a 880n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304014
PNG
(US10138242, Compound 103)
Show SMILES NCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccc(Cl)cc3)CCc12
Show InChI InChI=1S/C27H28ClN5O/c28-22-10-8-19(9-11-22)17-32-14-12-25-24(18-32)26(31-33(25)15-13-29)27(34)30-16-21-6-3-5-20-4-1-2-7-23(20)21/h1-11H,12-18,29H2,(H,30,34)
PDB

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US Patent
n/an/a 980n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303927
PNG
(US10138242, Compound 13)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCN2CCOCC2)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C36H39N5O3/c1-43-34-14-13-28(30-11-4-5-12-31(30)34)24-40-16-15-33-32(25-40)35(38-41(33)18-17-39-19-21-44-22-20-39)36(42)37-23-27-9-6-8-26-7-2-3-10-29(26)27/h2-14H,15-25H2,1H3,(H,37,42)
PDB

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PC sid
UniChem
US Patent
n/an/a 990n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303974
PNG
(US10138242, Compound 60)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3[nH]ccc23)c2ccccc12
Show InChI InChI=1S/C30H31N5O3/c1-38-28-10-9-21(22-6-2-3-7-24(22)28)18-34-14-12-27-25(19-34)29(33-35(27)15-16-36)30(37)32-17-20-5-4-8-26-23(20)11-13-31-26/h2-11,13,31,36H,12,14-19H2,1H3,(H,32,37)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.02E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303929
PNG
(US10138242, Compound 15)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3C2CN(C2)C(=O)C(C)(C)C)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C38H41N5O3/c1-38(2,3)37(45)42-22-28(23-42)43-33-18-19-41(21-27-16-17-34(46-4)31-15-8-7-14-30(27)31)24-32(33)35(40-43)36(44)39-20-26-12-9-11-25-10-5-6-13-29(25)26/h5-17,28H,18-24H2,1-4H3,(H,39,44)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.09E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303919
PNG
(US10138242, Compound 5)
Show SMILES COc1ccc(CN2CCc3[nH]nc(C(=O)NCc4cccc5ccccc45)c3C2)c2ccccc12
Show InChI InChI=1S/C30H28N4O2/c1-36-28-14-13-22(24-11-4-5-12-25(24)28)18-34-16-15-27-26(19-34)29(33-32-27)30(35)31-17-21-9-6-8-20-7-2-3-10-23(20)21/h2-14H,15-19H2,1H3,(H,31,35)(H,32,33)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.11E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303950
PNG
(US10138242, Compound 36)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C32H32N4O3/c1-39-30-14-13-24(26-11-4-5-12-27(26)30)20-35-16-15-29-28(21-35)31(34-36(29)17-18-37)32(38)33-19-23-9-6-8-22-7-2-3-10-25(22)23/h2-14,37H,15-21H2,1H3,(H,33,38)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.12E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303930
PNG
(US10138242, Compound 16)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3C2CCCC2)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C35H36N4O2/c1-41-33-18-17-26(29-15-6-7-16-30(29)33)22-38-20-19-32-31(23-38)34(37-39(32)27-12-3-4-13-27)35(40)36-21-25-11-8-10-24-9-2-5-14-28(24)25/h2,5-11,14-18,27H,3-4,12-13,19-23H2,1H3,(H,36,40)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.22E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303958
PNG
(US10138242, Compound 44)
Show SMILES COc1cccc2c(CN3CCc4c(C3)c(nn4CCO)C(=O)NCc3cccc4ccccc34)c[nH]c12
Show InChI InChI=1S/C30H31N5O3/c1-38-27-11-5-10-24-22(17-31-28(24)27)18-34-13-12-26-25(19-34)29(33-35(26)14-15-36)30(37)32-16-21-8-4-7-20-6-2-3-9-23(20)21/h2-11,17,31,36H,12-16,18-19H2,1H3,(H,32,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.27E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304016
PNG
(US10138242, Compound 105)
Show SMILES NCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccc(Cl)c(Cl)c3)CCc12
Show InChI InChI=1S/C27H27Cl2N5O/c28-23-9-8-18(14-24(23)29)16-33-12-10-25-22(17-33)26(32-34(25)13-11-30)27(35)31-15-20-6-3-5-19-4-1-2-7-21(19)20/h1-9,14H,10-13,15-17,30H2,(H,31,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.27E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303953
PNG
(US10138242, Compound 39)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3cccc(c3)-c3ccccc3)CCc12
Show InChI InChI=1S/C33H32N4O2/c38-19-18-37-31-16-17-36(22-24-8-6-13-27(20-24)25-9-2-1-3-10-25)23-30(31)32(35-37)33(39)34-21-28-14-7-12-26-11-4-5-15-29(26)28/h1-15,20,38H,16-19,21-23H2,(H,34,39)
PDB

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UniChem
US Patent
n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303925
PNG
(US10138242, Compound 11)
Show SMILES Cn1nc(C(=O)NCc2ccccc2)c2CN(Cc3c[nH]c4cc(OCc5ccccc5)ccc34)CCc12
Show InChI InChI=1S/C31H31N5O2/c1-35-29-14-15-36(20-27(29)30(34-35)31(37)33-17-22-8-4-2-5-9-22)19-24-18-32-28-16-25(12-13-26(24)28)38-21-23-10-6-3-7-11-23/h2-13,16,18,32H,14-15,17,19-21H2,1H3,(H,33,37)
PDB

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US Patent
n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303932
PNG
(US10138242, Compound 18)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3C2CCC2)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H34N4O2/c1-40-32-17-16-25(28-14-4-5-15-29(28)32)21-37-19-18-31-30(22-37)33(36-38(31)26-11-7-12-26)34(39)35-20-24-10-6-9-23-8-2-3-13-27(23)24/h2-6,8-10,13-17,26H,7,11-12,18-22H2,1H3,(H,35,39)
PDB

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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303949
PNG
(US10138242, Compound 35)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3cccc4ccccc34)CCc12
Show InChI InChI=1S/C31H30N4O2/c36-18-17-35-29-15-16-34(20-25-12-6-10-23-8-2-4-14-27(23)25)21-28(29)30(33-35)31(37)32-19-24-11-5-9-22-7-1-3-13-26(22)24/h1-14,36H,15-21H2,(H,32,37)
PDB

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US Patent
n/an/a 2.17E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303920
PNG
(US10138242, Compound 6)
Show SMILES O=C(NCc1ccccc1)c1nn(c2CCN(Cc3c[nH]c4ccccc34)Cc12)-c1ccccc1
Show InChI InChI=1S/C29H27N5O/c35-29(31-17-21-9-3-1-4-10-21)28-25-20-33(19-22-18-30-26-14-8-7-13-24(22)26)16-15-27(25)34(32-28)23-11-5-2-6-12-23/h1-14,18,30H,15-17,19-20H2,(H,31,35)
PDB

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US Patent
n/an/a 2.27E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303957
PNG
(US10138242, Compound 43)
Show SMILES COC(=O)c1cccc2c(CN3CCc4c(C3)c(nn4CCO)C(=O)NCc3cccc4ccccc34)c[nH]c12
Show InChI InChI=1S/C31H31N5O4/c1-40-31(39)25-11-5-10-24-22(17-32-28(24)25)18-35-13-12-27-26(19-35)29(34-36(27)14-15-37)30(38)33-16-21-8-4-7-20-6-2-3-9-23(20)21/h2-11,17,32,37H,12-16,18-19H2,1H3,(H,33,38)
PDB

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n/an/a 2.38E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304017
PNG
(US10138242, Compound 106)
Show SMILES COc1ccc2c(CN3CCc4c(C3)c(nn4CCO)C(=O)NCc3cccc4ccccc34)c[nH]c2c1
Show InChI InChI=1S/C30H31N5O3/c1-38-23-9-10-25-22(17-31-27(25)15-23)18-34-12-11-28-26(19-34)29(33-35(28)13-14-36)30(37)32-16-21-7-4-6-20-5-2-3-8-24(20)21/h2-10,15,17,31,36H,11-14,16,18-19H2,1H3,(H,32,37)
PDB

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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303966
PNG
(US10138242, Compound 52)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccc(Cl)c(Cl)c3)CCc12
Show InChI InChI=1S/C27H26Cl2N4O2/c28-23-9-8-18(14-24(23)29)16-32-11-10-25-22(17-32)26(31-33(25)12-13-34)27(35)30-15-20-6-3-5-19-4-1-2-7-21(19)20/h1-9,14,34H,10-13,15-17H2,(H,30,35)
PDB

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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303928
PNG
(US10138242, Compound 14)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3-c2cnccn2)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H30N6O2/c1-42-31-14-13-25(27-11-4-5-12-28(27)31)21-39-18-15-30-29(22-39)33(38-40(30)32-20-35-16-17-36-32)34(41)37-19-24-9-6-8-23-7-2-3-10-26(23)24/h2-14,16-17,20H,15,18-19,21-22H2,1H3,(H,37,41)
PDB

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n/an/a 2.59E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303945
PNG
(US10138242, Compound 31)
Show SMILES Cn1nc(C(=O)NCc2ccc3ccccc3c2)c2CN(Cc3c[nH]c4ccccc34)CCc12
Show InChI InChI=1S/C28H27N5O/c1-32-26-12-13-33(17-22-16-29-25-9-5-4-8-23(22)25)18-24(26)27(31-32)28(34)30-15-19-10-11-20-6-2-3-7-21(20)14-19/h2-11,14,16,29H,12-13,15,17-18H2,1H3,(H,30,34)
PDB

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US Patent
n/an/a 2.62E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303935
PNG
(US10138242, Compound 21)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C28H30N4O3/c1-35-26-12-11-21(22-9-5-6-10-23(22)26)18-31-14-13-25-24(19-31)27(30-32(25)15-16-33)28(34)29-17-20-7-3-2-4-8-20/h2-12,33H,13-19H2,1H3,(H,29,34)
PDB

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US Patent
n/an/a 2.63E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304019
PNG
(US10138242, Compound 108)
Show SMILES COC(=O)c1ccc2c(CN3CCc4c(C3)c(nn4CCO)C(=O)NCc3cccc4ccccc34)c[nH]c2c1
Show InChI InChI=1S/C31H31N5O4/c1-40-31(39)21-9-10-25-23(17-32-27(25)15-21)18-35-12-11-28-26(19-35)29(34-36(28)13-14-37)30(38)33-16-22-7-4-6-20-5-2-3-8-24(20)22/h2-10,15,17,32,37H,11-14,16,18-19H2,1H3,(H,33,38)
PDB

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UniChem
US Patent
n/an/a 2.70E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303994
PNG
(US10138242, Compound 80)
Show SMILES Cc1ccccc1-c1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C30H32N4O2/c1-22-7-5-6-10-26(22)25-13-11-24(12-14-25)20-33-16-15-28-27(21-33)29(32-34(28)17-18-35)30(36)31-19-23-8-3-2-4-9-23/h2-14,35H,15-21H2,1H3,(H,31,36)
PDB

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US Patent
n/an/a 2.76E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303964
PNG
(US10138242, Compound 50)
Show SMILES CC(C)c1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H34N4O2/c1-21(2)23-12-10-22(11-13-23)19-33-15-14-28-27(20-33)29(32-34(28)16-17-35)30(36)31-18-25-8-5-7-24-6-3-4-9-26(24)25/h3-13,21,35H,14-20H2,1-2H3,(H,31,36)
PDB

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US Patent
n/an/a 2.89E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303975
PNG
(US10138242, Compound 61)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3cccnc23)c2ccccc12
Show InChI InChI=1S/C31H31N5O3/c1-39-28-12-11-23(24-9-2-3-10-25(24)28)19-35-15-13-27-26(20-35)30(34-36(27)16-17-37)31(38)33-18-22-7-4-6-21-8-5-14-32-29(21)22/h2-12,14,37H,13,15-20H2,1H3,(H,33,38)
PDB

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US Patent
n/an/a 2.96E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303962
PNG
(US10138242, Compound 48)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccc(cc3)C(F)(F)F)CCc12
Show InChI InChI=1S/C28H27F3N4O2/c29-28(30,31)22-10-8-19(9-11-22)17-34-13-12-25-24(18-34)26(33-35(25)14-15-36)27(37)32-16-21-6-3-5-20-4-1-2-7-23(20)21/h1-11,36H,12-18H2,(H,32,37)
PDB

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US Patent
n/an/a 2.99E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304020
PNG
(US10138242, Compound 109)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3cc4ccccc4[nH]3)CCc12
Show InChI InChI=1S/C29H29N5O2/c35-15-14-34-27-12-13-33(18-23-16-21-7-2-4-11-26(21)31-23)19-25(27)28(32-34)29(36)30-17-22-9-5-8-20-6-1-3-10-24(20)22/h1-11,16,31,35H,12-15,17-19H2,(H,30,36)
PDB

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US Patent
n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303944
PNG
(US10138242, Compound 30)
Show SMILES OCCn1nc(C(=O)NCc2ccccc2)c2CN(Cc3cc4ccccc4c4ccccc34)CCc12
Show InChI InChI=1S/C31H30N4O2/c36-17-16-35-29-14-15-34(21-28(29)30(33-35)31(37)32-19-22-8-2-1-3-9-22)20-24-18-23-10-4-5-11-25(23)27-13-7-6-12-26(24)27/h1-13,18,36H,14-17,19-21H2,(H,32,37)
PDB

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US Patent
n/an/a 3.36E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303931
PNG
(US10138242, Compound 17)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3Cc2ccccc2)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C37H34N4O2/c1-43-35-19-18-29(31-16-7-8-17-32(31)35)24-40-21-20-34-33(25-40)36(39-41(34)23-26-10-3-2-4-11-26)37(42)38-22-28-14-9-13-27-12-5-6-15-30(27)28/h2-19H,20-25H2,1H3,(H,38,42)
PDB

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US Patent
n/an/a 3.41E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303948
PNG
(US10138242, Compound 34)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3c[nH]c4ccccc34)CCc12
Show InChI InChI=1S/C29H29N5O2/c35-15-14-34-27-12-13-33(18-22-17-30-26-11-4-3-10-24(22)26)19-25(27)28(32-34)29(36)31-16-21-8-5-7-20-6-1-2-9-23(20)21/h1-11,17,30,35H,12-16,18-19H2,(H,31,36)
PDB

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US Patent
n/an/a 3.49E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303955
PNG
(US10138242, Compound 41)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccc(OC(F)(F)F)cc3)CCc12
Show InChI InChI=1S/C28H27F3N4O3/c29-28(30,31)38-22-10-8-19(9-11-22)17-34-13-12-25-24(18-34)26(33-35(25)14-15-36)27(37)32-16-21-6-3-5-20-4-1-2-7-23(20)21/h1-11,36H,12-18H2,(H,32,37)
PDB

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US Patent
n/an/a 3.75E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303965
PNG
(US10138242, Compound 51)
Show SMILES CCOc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C29H32N4O3/c1-2-36-24-12-10-21(11-13-24)19-32-15-14-27-26(20-32)28(31-33(27)16-17-34)29(35)30-18-23-8-5-7-22-6-3-4-9-25(22)23/h3-13,34H,2,14-20H2,1H3,(H,30,35)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303924
PNG
(US10138242, Compound 10)
Show SMILES Cn1nc(C(=O)NCc2ccccc2)c2CN(Cc3cccc(c3)-c3ccccc3)CCc12
Show InChI InChI=1S/C28H28N4O/c1-31-26-15-16-32(19-22-11-8-14-24(17-22)23-12-6-3-7-13-23)20-25(26)27(30-31)28(33)29-18-21-9-4-2-5-10-21/h2-14,17H,15-16,18-20H2,1H3,(H,29,33)
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
US Patent
n/an/a 4.06E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303923
PNG
(US10138242, Compound 9)
Show SMILES Cn1nc(C(=O)NCc2ccccc2)c2CN(Cc3ccc(cc3)-c3ccccc3)CCc12
Show InChI InChI=1S/C28H28N4O/c1-31-26-16-17-32(19-22-12-14-24(15-13-22)23-10-6-3-7-11-23)20-25(26)27(30-31)28(33)29-18-21-8-4-2-5-9-21/h2-15H,16-20H2,1H3,(H,29,33)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 4.08E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303956
PNG
(US10138242, Compound 42)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccc(Cl)cc3)CCc12
Show InChI InChI=1S/C27H27ClN4O2/c28-22-10-8-19(9-11-22)17-31-13-12-25-24(18-31)26(30-32(25)14-15-33)27(34)29-16-21-6-3-5-20-4-1-2-7-23(20)21/h1-11,33H,12-18H2,(H,29,34)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 4.17E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303947
PNG
(US10138242, Compound 33)
Show SMILES Cn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3cccc4ccccc34)CCc12
Show InChI InChI=1S/C30H28N4O/c1-33-28-16-17-34(19-24-13-7-11-22-9-3-5-15-26(22)24)20-27(28)29(32-33)30(35)31-18-23-12-6-10-21-8-2-4-14-25(21)23/h2-15H,16-20H2,1H3,(H,31,35)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 4.20E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM304004
PNG
(US10138242, Compound 91)
Show SMILES COc1ccc(CN2CCc3nn4CCN(Cc5cccc6ccccc56)C(=O)c4c3C2)c2ccccc12
Show InChI InChI=1S/C32H30N4O2/c1-38-30-14-13-24(26-11-4-5-12-27(26)30)19-34-16-15-29-28(21-34)31-32(37)35(17-18-36(31)33-29)20-23-9-6-8-22-7-2-3-10-25(22)23/h2-14H,15-21H2,1H3
PDB

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UniChem
US Patent
n/an/a 4.28E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303963
PNG
(US10138242, Compound 49)
Show SMILES CCCc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H34N4O2/c1-2-6-22-11-13-23(14-12-22)20-33-16-15-28-27(21-33)29(32-34(28)17-18-35)30(36)31-19-25-9-5-8-24-7-3-4-10-26(24)25/h3-5,7-14,35H,2,6,15-21H2,1H3,(H,31,36)
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
US Patent
n/an/a 4.35E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

More data for this
Ligand-Target Pair
PEX14-PEX5


(Homo sapiens (Human))
BDBM303998
PNG
(US10138242, Compound 84)
Show SMILES Cn1nc(C(=O)NCc2ccccc2)c2CN(Cc3c[nH]c4ccccc34)CCc12
Show InChI InChI=1S/C24H25N5O/c1-28-22-11-12-29(15-18-14-25-21-10-6-5-9-19(18)21)16-20(22)23(27-28)24(30)26-13-17-7-3-2-4-8-17/h2-10,14,25H,11-13,15-16H2,1H3,(H,26,30)
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
US Patent
n/an/a 4.55E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strainżLister 427, VATMITat 1.2). Stock solutions of compounds (...


US Patent US10138242 (2018)

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