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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Neuropilin-1' and Ligand = 'BDBM50313491'   
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))
BDBM50313491
PNG
((S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nsnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of biotinylated-VEGF-A125 from NRP1 b1 domain by cell-free assay


J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50313491
PNG
((S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nsnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of biotinylated-VEGF-A125 from human NRP1 expressed in human DU145 cells


J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50313491
PNG
((S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nsnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in human A549 cells


J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50313491
PNG
((S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nsnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells


J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50313491
PNG
((S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nsnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
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Article
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n/an/a 1.11E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human biotinylated VEGF-165A expressed in HEK293 cells binding to immobilized recombinant full length human FC-tagged NRP1 ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115183
BindingDB Entry DOI: 10.7270/Q2GB27M4
More data for this
Ligand-Target Pair
Neuropilin-1


(Homo sapiens (Human))
BDBM50313491
PNG
((S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1sccc1-[#7]S(=O)(=O)c1cccc2nsnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
PDB
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CHEMBL
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Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Domainex Ltd

Curated by ChEMBL


Assay Description
Displacement of biotinylated-VEGF-A125 from human NRP1 expressed in HUVEC


J Med Chem 53: 2215-26 (2010)


Article DOI: 10.1021/jm901755g
BindingDB Entry DOI: 10.7270/Q2154H62
More data for this
Ligand-Target Pair