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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'foti' and Initial = 'c'   
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
Neuropilin-1


(Homo sapiens (Human))
BDBM50453006
PNG
(CHEMBL4217624)
Show SMILES NCc1ccc(cc1)-c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C26H30N6O6S2/c27-14-15-3-5-16(6-4-15)18-12-17-7-10-38-22(17)21(13-18)40(36,37)32-19-8-11-39-23(19)24(33)31-20(25(34)35)2-1-9-30-26(28)29/h3-6,8,11-13,20,32H,1-2,7,9-10,14,27H2,(H,31,33)(H,34,35)(H4,28,29,30)/t20-/m0/s1
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n/an/a 609n/an/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Inhibition of biotinylated VEGF-A binding to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453006
PNG
(CHEMBL4217624)
Show SMILES NCc1ccc(cc1)-c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C26H30N6O6S2/c27-14-15-3-5-16(6-4-15)18-12-17-7-10-38-22(17)21(13-18)40(36,37)32-19-8-11-39-23(19)24(33)31-20(25(34)35)2-1-9-30-26(28)29/h3-6,8,11-13,20,32H,1-2,7,9-10,14,27H2,(H,31,33)(H,34,35)(H4,28,29,30)/t20-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Inhibition of biotinylated VEGF-A binding to human NRP1 expressed in human DU145 cells after 2 hrs


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L5


(Homo sapiens (Human))
BDBM50072959
PNG
(CHEMBL3410535)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/CS(=O)(=O)C\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H14N2O7S/c22-19-15(9-13-1-5-17(6-2-13)20(23)24)11-29(27,28)12-16(19)10-14-3-7-18(8-4-14)21(25)26/h1-10H,11-12H2/b15-9+,16-10+
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n/an/a 1.36E+4n/an/an/an/an/an/a



Universit£ degli Studi di Trieste

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged UCHL5 (unknown origin) using Ub-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 mins b...


J Med Chem 58: 1691-704 (2015)


Article DOI: 10.1021/jm501336h
BindingDB Entry DOI: 10.7270/Q2J67JM0
More data for this
Ligand-Target Pair
Ubl carboxyl-terminal hydrolase 18


(Homo sapiens (Human))
BDBM50072960
PNG
(CHEMBL3410537)
Show SMILES OC1C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)\C(C1)=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H16N2O6/c23-19-11-15(9-13-1-5-17(6-2-13)21(25)26)20(24)16(12-19)10-14-3-7-18(8-4-14)22(27)28/h1-10,19,23H,11-12H2/b15-9+,16-10+
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n/an/a 2.12E+4n/an/an/an/an/an/a



Universit£ degli Studi di Trieste

Curated by ChEMBL


Assay Description
Inhibition of recombinant human USP18 (16 to 372 aa) expressed in Sf9 cells using ISG15-AMC as substrate preincubated for 30 mins before substrate ad...


J Med Chem 58: 1691-704 (2015)


Article DOI: 10.1021/jm501336h
BindingDB Entry DOI: 10.7270/Q2J67JM0
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM50072959
PNG
(CHEMBL3410535)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/CS(=O)(=O)C\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H14N2O7S/c22-19-15(9-13-1-5-17(6-2-13)20(23)24)11-29(27,28)12-16(19)10-14-3-7-18(8-4-14)21(25)26/h1-10H,11-12H2/b15-9+,16-10+
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n/an/a 3.26E+4n/an/an/an/an/an/a



Universit£ degli Studi di Trieste

Curated by ChEMBL


Assay Description
Inhibition of USP2 catalytic domain (unknown origin) expressed in bacteria using Ub-AMC as substrate preincubated for 30 mins before substrate additi...


J Med Chem 58: 1691-704 (2015)


Article DOI: 10.1021/jm501336h
BindingDB Entry DOI: 10.7270/Q2J67JM0
More data for this
Ligand-Target Pair
Ubl carboxyl-terminal hydrolase 18


(Homo sapiens (Human))
BDBM50072959
PNG
(CHEMBL3410535)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/CS(=O)(=O)C\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H14N2O7S/c22-19-15(9-13-1-5-17(6-2-13)20(23)24)11-29(27,28)12-16(19)10-14-3-7-18(8-4-14)21(25)26/h1-10H,11-12H2/b15-9+,16-10+
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n/an/a 3.32E+4n/an/an/an/an/an/a



Universit£ degli Studi di Trieste

Curated by ChEMBL


Assay Description
Inhibition of recombinant human USP18 (16 to 372 aa) expressed in Sf9 cells using ISG15-AMC as substrate preincubated for 30 mins before substrate ad...


J Med Chem 58: 1691-704 (2015)


Article DOI: 10.1021/jm501336h
BindingDB Entry DOI: 10.7270/Q2J67JM0
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L5


(Homo sapiens (Human))
BDBM50072960
PNG
(CHEMBL3410537)
Show SMILES OC1C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)\C(C1)=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H16N2O6/c23-19-11-15(9-13-1-5-17(6-2-13)21(25)26)20(24)16(12-19)10-14-3-7-18(8-4-14)22(27)28/h1-10,19,23H,11-12H2/b15-9+,16-10+
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n/an/a 4.30E+4n/an/an/an/an/an/a



Universit£ degli Studi di Trieste

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged UCHL5 (unknown origin) using Ub-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 mins b...


J Med Chem 58: 1691-704 (2015)


Article DOI: 10.1021/jm501336h
BindingDB Entry DOI: 10.7270/Q2J67JM0
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452975
PNG
(CHEMBL4210862)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1CN1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C31H38N6O6S2/c32-31(33)34-12-6-9-25(30(39)40)35-29(38)28-24(11-16-44-28)36-45(41,42)26-18-22(17-20-10-15-43-27(20)26)23-8-3-2-7-21(23)19-37-13-4-1-5-14-37/h2-3,7-8,11,16-18,25,36H,1,4-6,9-10,12-15,19H2,(H,35,38)(H,39,40)(H4,32,33,34)/t25-/m0/s1
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n/an/an/a 2.28E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452976
PNG
(CHEMBL4215816)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1CN1CCC(CC1)C(N)=O)C(O)=O |r|
Show InChI InChI=1S/C32H39N7O7S2/c33-29(40)19-7-12-39(13-8-19)18-21-4-1-2-5-23(21)22-16-20-9-14-46-27(20)26(17-22)48(44,45)38-24-10-15-47-28(24)30(41)37-25(31(42)43)6-3-11-36-32(34)35/h1-2,4-5,10,15-17,19,25,38H,3,6-9,11-14,18H2,(H2,33,40)(H,37,41)(H,42,43)(H4,34,35,36)/t25-/m0/s1
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n/an/an/a 2.05E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452977
PNG
(CHEMBL4211378)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1CN1CCC(CC1)N1CCOCC1)C(O)=O |r|
Show InChI InChI=1S/C35H45N7O7S2/c36-35(37)38-11-3-6-29(34(44)45)39-33(43)32-28(10-19-50-32)40-51(46,47)30-21-25(20-23-9-16-49-31(23)30)27-5-2-1-4-24(27)22-41-12-7-26(8-13-41)42-14-17-48-18-15-42/h1-2,4-5,10,19-21,26,29,40H,3,6-9,11-18,22H2,(H,39,43)(H,44,45)(H4,36,37,38)/t29-/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452978
PNG
(CHEMBL4218751)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1CN1CCC(CC#N)CC1)C(O)=O |r|
Show InChI InChI=1S/C33H39N7O6S2/c34-12-7-21-8-14-40(15-9-21)20-23-4-1-2-5-25(23)24-18-22-10-16-46-29(22)28(19-24)48(44,45)39-26-11-17-47-30(26)31(41)38-27(32(42)43)6-3-13-37-33(35)36/h1-2,4-5,11,17-19,21,27,39H,3,6-10,13-16,20H2,(H,38,41)(H,42,43)(H4,35,36,37)/t27-/m0/s1
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n/an/an/a 1.86E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453016
PNG
(CHEMBL4204363)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(Cc2ncc[nH]2)c1)C(O)=O |r|
Show InChI InChI=1S/C29H31N7O6S2/c30-29(31)34-8-2-5-22(28(38)39)35-27(37)26-21(7-12-43-26)36-44(40,41)23-16-20(15-19-6-11-42-25(19)23)18-4-1-3-17(13-18)14-24-32-9-10-33-24/h1,3-4,7,9-10,12-13,15-16,22,36H,2,5-6,8,11,14H2,(H,32,33)(H,35,37)(H,38,39)(H4,30,31,34)/t22-/m0/s1
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n/an/an/a 840n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452992
PNG
(CHEMBL4218147)
Show SMILES CN(C)Cc1cccc(c1)-c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C28H34N6O6S2/c1-34(2)16-17-5-3-6-18(13-17)20-14-19-8-11-40-24(19)23(15-20)42(38,39)33-21-9-12-41-25(21)26(35)32-22(27(36)37)7-4-10-31-28(29)30/h3,5-6,9,12-15,22,33H,4,7-8,10-11,16H2,1-2H3,(H,32,35)(H,36,37)(H4,29,30,31)/t22-/m0/s1
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n/an/an/a 4.52E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452993
PNG
(CHEMBL4213216)
Show SMILES NCc1ccccc1-c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C26H30N6O6S2/c27-14-16-4-1-2-5-18(16)17-12-15-7-10-38-22(15)21(13-17)40(36,37)32-19-8-11-39-23(19)24(33)31-20(25(34)35)6-3-9-30-26(28)29/h1-2,4-5,8,11-13,20,32H,3,6-7,9-10,14,27H2,(H,31,33)(H,34,35)(H4,28,29,30)/t20-/m0/s1
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n/an/an/a 1.87E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453004
PNG
(CHEMBL4205918)
Show SMILES NCc1cccc(c1)-c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C26H30N6O6S2/c27-14-15-3-1-4-16(11-15)18-12-17-6-9-38-22(17)21(13-18)40(36,37)32-19-7-10-39-23(19)24(33)31-20(25(34)35)5-2-8-30-26(28)29/h1,3-4,7,10-13,20,32H,2,5-6,8-9,14,27H2,(H,31,33)(H,34,35)(H4,28,29,30)/t20-/m0/s1
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n/an/an/a 2.44E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453005
PNG
(CHEMBL4209362)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc2CNCc12)C(O)=O |r|
Show InChI InChI=1S/C27H30N6O6S2/c28-27(29)31-8-2-5-21(26(35)36)32-25(34)24-20(7-10-40-24)33-41(37,38)22-12-17(11-15-6-9-39-23(15)22)18-4-1-3-16-13-30-14-19(16)18/h1,3-4,7,10-12,21,30,33H,2,5-6,8-9,13-14H2,(H,32,34)(H,35,36)(H4,28,29,31)/t21-/m0/s1
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n/an/an/a 2.47E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453007
PNG
(CHEMBL4212550)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1Cc1ncc[nH]1)C(O)=O |r|
Show InChI InChI=1S/C29H31N7O6S2/c30-29(31)34-9-3-6-22(28(38)39)35-27(37)26-21(8-13-43-26)36-44(40,41)23-15-19(14-18-7-12-42-25(18)23)20-5-2-1-4-17(20)16-24-32-10-11-33-24/h1-2,4-5,8,10-11,13-15,22,36H,3,6-7,9,12,16H2,(H,32,33)(H,35,37)(H,38,39)(H4,30,31,34)/t22-/m0/s1
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n/an/an/a 1.77E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453008
PNG
(CHEMBL4205347)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(Cc2ccccn2)c1)C(O)=O |r|
Show InChI InChI=1S/C31H32N6O6S2/c32-31(33)35-12-4-8-25(30(39)40)36-29(38)28-24(10-14-44-28)37-45(41,42)26-18-22(17-21-9-13-43-27(21)26)20-6-3-5-19(15-20)16-23-7-1-2-11-34-23/h1-3,5-7,10-11,14-15,17-18,25,37H,4,8-9,12-13,16H2,(H,36,38)(H,39,40)(H4,32,33,35)/t25-/m0/s1
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n/an/an/a 410n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453009
PNG
(CHEMBL4202667)
Show SMILES CNC(=O)C1CCN(Cc2cccc(c2)-c2cc3CCOc3c(c2)S(=O)(=O)Nc2ccsc2C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)CC1 |r|
Show InChI InChI=1S/C33H41N7O7S2/c1-36-30(41)21-7-12-40(13-8-21)19-20-4-2-5-22(16-20)24-17-23-9-14-47-28(23)27(18-24)49(45,46)39-25-10-15-48-29(25)31(42)38-26(32(43)44)6-3-11-37-33(34)35/h2,4-5,10,15-18,21,26,39H,3,6-9,11-14,19H2,1H3,(H,36,41)(H,38,42)(H,43,44)(H4,34,35,37)/t26-/m0/s1
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n/an/an/a 1.33E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453010
PNG
(CHEMBL4207210)
Show SMILES CCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)[C@@H](C)O |r|
Show InChI InChI=1S/C139H243N53O44S4/c1-9-10-11-12-13-37-99(200)166-89(60-193)124(227)188-92-63-238-240-65-94-128(231)173-76(33-23-50-162-137(153)154)113(216)187-93(129(232)183-87(58-102(205)206)121(224)178-82(29-16-19-46-142)133(236)192-53-26-36-95(192)130(233)177-77(34-24-51-163-138(155)156)109(212)167-71(106(146)209)30-20-47-159-134(147)148)64-239-237-62-91(186-112(215)75(32-22-49-161-136(151)152)170-125(228)90(61-194)185-122(225)88(59-103(207)208)184-131(234)104(69(7)195)191-123(226)86(57-98(145)199)181-111(214)73(172-127(92)230)28-15-18-45-141)126(229)171-72(27-14-17-44-140)108(211)165-68(6)107(210)168-74(31-21-48-160-135(149)150)110(213)174-79(38-41-96(143)197)115(218)179-83(54-66(2)3)118(221)175-81(40-43-101(203)204)116(219)180-84(55-67(4)5)119(222)182-85(56-97(144)198)120(223)176-80(39-42-100(201)202)114(217)169-78(35-25-52-164-139(157)158)117(220)190-105(70(8)196)132(235)189-94/h66-95,104-105,193-196H,9-65,140-142H2,1-8H3,(H2,143,197)(H2,144,198)(H2,145,199)(H2,146,209)(H,165,211)(H,166,200)(H,167,212)(H,168,210)(H,169,217)(H,170,228)(H,171,229)(H,172,230)(H,173,231)(H,174,213)(H,175,221)(H,176,223)(H,177,233)(H,178,224)(H,179,218)(H,180,219)(H,181,214)(H,182,222)(H,183,232)(H,184,234)(H,185,225)(H,186,215)(H,187,216)(H,188,227)(H,189,235)(H,190,220)(H,191,226)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H4,147,148,159)(H4,149,150,160)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)(H4,157,158,164)/t68-,69+,70+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,104-,105-/m0/s1
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n/an/an/a 76n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human NRP1 extracellular domain by SPR method


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453011
PNG
(CHEMBL4216800)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1Cc1cc[nH]n1)C(O)=O |r|
Show InChI InChI=1S/C29H31N7O6S2/c30-29(31)32-10-3-6-23(28(38)39)34-27(37)26-22(9-13-43-26)36-44(40,41)24-16-19(14-18-8-12-42-25(18)24)21-5-2-1-4-17(21)15-20-7-11-33-35-20/h1-2,4-5,7,9,11,13-14,16,23,36H,3,6,8,10,12,15H2,(H,33,35)(H,34,37)(H,38,39)(H4,30,31,32)/t23-/m0/s1
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n/an/an/a 2.10E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453012
PNG
(CHEMBL4204935)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(Cc2cn[nH]c2)c1)C(O)=O |r|
Show InChI InChI=1S/C29H31N7O6S2/c30-29(31)32-8-2-5-23(28(38)39)35-27(37)26-22(7-10-43-26)36-44(40,41)24-14-21(13-20-6-9-42-25(20)24)19-4-1-3-17(12-19)11-18-15-33-34-16-18/h1,3-4,7,10,12-16,23,36H,2,5-6,8-9,11H2,(H,33,34)(H,35,37)(H,38,39)(H4,30,31,32)/t23-/m0/s1
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n/an/an/a 1.43E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453013
PNG
(CHEMBL4206494)
Show SMILES CNC(=O)C1CCN(Cc2ccccc2-c2cc3CCOc3c(c2)S(=O)(=O)Nc2ccsc2C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)CC1 |r|
Show InChI InChI=1S/C33H41N7O7S2/c1-36-30(41)20-8-13-40(14-9-20)19-22-5-2-3-6-24(22)23-17-21-10-15-47-28(21)27(18-23)49(45,46)39-25-11-16-48-29(25)31(42)38-26(32(43)44)7-4-12-37-33(34)35/h2-3,5-6,11,16-18,20,26,39H,4,7-10,12-15,19H2,1H3,(H,36,41)(H,38,42)(H,43,44)(H4,34,35,37)/t26-/m0/s1
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n/an/an/a 3.02E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453014
PNG
(CHEMBL4214846)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(CN2CCC(CC#N)CC2)c1)C(O)=O |r|
Show InChI InChI=1S/C33H39N7O6S2/c34-11-6-21-7-13-40(14-8-21)20-22-3-1-4-23(17-22)25-18-24-9-15-46-29(24)28(19-25)48(44,45)39-26-10-16-47-30(26)31(41)38-27(32(42)43)5-2-12-37-33(35)36/h1,3-4,10,16-19,21,27,39H,2,5-9,12-15,20H2,(H,38,41)(H,42,43)(H4,35,36,37)/t27-/m0/s1
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n/an/an/a 1.41E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453006
PNG
(CHEMBL4217624)
Show SMILES NCc1ccc(cc1)-c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C26H30N6O6S2/c27-14-15-3-5-16(6-4-15)18-12-17-7-10-38-22(17)21(13-18)40(36,37)32-19-8-11-39-23(19)24(33)31-20(25(34)35)2-1-9-30-26(28)29/h3-6,8,11-13,20,32H,1-2,7,9-10,14,27H2,(H,31,33)(H,34,35)(H4,28,29,30)/t20-/m0/s1
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n/an/an/a 1.32E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50453015
PNG
(CHEMBL4204493)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccc2CNCc2c1)C(O)=O |r|
Show InChI InChI=1S/C27H30N6O6S2/c28-27(29)31-7-1-2-21(26(35)36)32-25(34)24-20(6-9-40-24)33-41(37,38)22-12-18(11-16-5-8-39-23(16)22)15-3-4-17-13-30-14-19(17)10-15/h3-4,6,9-12,21,30,33H,1-2,5,7-8,13-14H2,(H,32,34)(H,35,36)(H4,28,29,31)/t21-/m0/s1
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n/an/an/a 2.17E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452974
PNG
(CHEMBL4216033)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(Cc2cc[nH]n2)c1)C(O)=O |r|
Show InChI InChI=1S/C29H31N7O6S2/c30-29(31)32-9-2-5-23(28(38)39)34-27(37)26-22(8-12-43-26)36-44(40,41)24-16-20(15-19-7-11-42-25(19)24)18-4-1-3-17(13-18)14-21-6-10-33-35-21/h1,3-4,6,8,10,12-13,15-16,23,36H,2,5,7,9,11,14H2,(H,33,35)(H,34,37)(H,38,39)(H4,30,31,32)/t23-/m0/s1
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n/an/an/a 1.45E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452973
PNG
(CHEMBL4203815)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(CN2CCOCC2)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36N6O7S2/c31-30(32)33-8-2-5-24(29(38)39)34-28(37)27-23(7-14-44-27)35-45(40,41)25-17-22(16-21-6-11-43-26(21)25)20-4-1-3-19(15-20)18-36-9-12-42-13-10-36/h1,3-4,7,14-17,24,35H,2,5-6,8-13,18H2,(H,34,37)(H,38,39)(H4,31,32,33)/t24-/m0/s1
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n/an/an/a 3.76E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452927
PNG
(CHEMBL4203943)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1Cc1cn[nH]c1)C(O)=O |r|
Show InChI InChI=1S/C29H31N7O6S2/c30-29(31)32-9-3-6-23(28(38)39)35-27(37)26-22(8-11-43-26)36-44(40,41)24-14-20(13-19-7-10-42-25(19)24)21-5-2-1-4-18(21)12-17-15-33-34-16-17/h1-2,4-5,8,11,13-16,23,36H,3,6-7,9-10,12H2,(H,33,34)(H,35,37)(H,38,39)(H4,30,31,32)/t23-/m0/s1
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n/an/an/a 2.14E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452926
PNG
(CHEMBL4217507)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H27N5O6S2/c26-25(27)28-10-4-7-19(24(32)33)29-23(31)22-18(9-12-37-22)30-38(34,35)20-14-17(15-5-2-1-3-6-15)13-16-8-11-36-21(16)20/h1-3,5-6,9,12-14,19,30H,4,7-8,10-11H2,(H,29,31)(H,32,33)(H4,26,27,28)/t19-/m0/s1
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n/an/an/a 1.44E+4n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452925
PNG
(CHEMBL4214327)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(CN2CCC(CC2)C(N)=O)c1)C(O)=O |r|
Show InChI InChI=1S/C32H39N7O7S2/c33-29(40)20-6-11-39(12-7-20)18-19-3-1-4-21(15-19)23-16-22-8-13-46-27(22)26(17-23)48(44,45)38-24-9-14-47-28(24)30(41)37-25(31(42)43)5-2-10-36-32(34)35/h1,3-4,9,14-17,20,25,38H,2,5-8,10-13,18H2,(H2,33,40)(H,37,41)(H,42,43)(H4,34,35,36)/t25-/m0/s1
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n/an/an/a 1.56E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452924
PNG
(CHEMBL4209931)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(CN2CCC(CC2)N2CCOCC2)c1)C(O)=O |r|
Show InChI InChI=1S/C35H45N7O7S2/c36-35(37)38-10-2-5-29(34(44)45)39-33(43)32-28(9-18-50-32)40-51(46,47)30-21-26(20-25-8-15-49-31(25)30)24-4-1-3-23(19-24)22-41-11-6-27(7-12-41)42-13-16-48-17-14-42/h1,3-4,9,18-21,27,29,40H,2,5-8,10-17,22H2,(H,39,43)(H,44,45)(H4,36,37,38)/t29-/m0/s1
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n/an/an/a 1.38E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452923
PNG
(CHEMBL4208692)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1Cc1ccccn1)C(O)=O |r|
Show InChI InChI=1S/C31H32N6O6S2/c32-31(33)35-13-5-9-25(30(39)40)36-29(38)28-24(11-15-44-28)37-45(41,42)26-18-21(16-20-10-14-43-27(20)26)23-8-2-1-6-19(23)17-22-7-3-4-12-34-22/h1-4,6-8,11-12,15-16,18,25,37H,5,9-10,13-14,17H2,(H,36,38)(H,39,40)(H4,32,33,35)/t25-/m0/s1
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n/an/an/a 680n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50452991
PNG
(CHEMBL4207015)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(CN2CCCCC2)c1)C(O)=O |r|
Show InChI InChI=1S/C31H38N6O6S2/c32-31(33)34-11-5-8-25(30(39)40)35-29(38)28-24(10-15-44-28)36-45(41,42)26-18-23(17-22-9-14-43-27(22)26)21-7-4-6-20(16-21)19-37-12-2-1-3-13-37/h4,6-7,10,15-18,25,36H,1-3,5,8-9,11-14,19H2,(H,35,38)(H,39,40)(H4,32,33,34)/t25-/m0/s1
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n/an/an/a 1.17E+3n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair